Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 2/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL731999 | 0.90 | MEN1 (0.56) | ALDH1A1MAPTLMNAMAPK1HPGD | |
| SCHEMBL5465423 | 0.85 | PDGFRB (0.53) | ALDH1A1MAPTLMNATSHRMAPK1 | |
| SCHEMBL2435686 | 0.85 | ALDH1A1 (0.55) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2593349 | 0.84 | CYP1A2 (0.50) | ALDH1A1MAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL6209939 | 0.84 | ALDH1A1 (0.61) | ALDH1A1MAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL3726108 | 0.84 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNACYP1A2TSHR | |
| SCHEMBL4131823 | 0.84 | ATM (0.47) | ALDH1A1MAPTLMNATSHRMAPK1 | |
| SCHEMBL7426294 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7651887 | 0.82 | PDGFRB (0.58) | ALDH1A1MAPTLMNATSHRMAPK1 | |
| SCHEMBL29875081 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7407980-B2 | Imidazolinylmethyl aralkylsulfonamides | ROCHE PALO ALTO LLC (US) | 2008-08-05 | — | — | US | disclosed |
| US-20070054909-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | US | disclosed |
| US-7179819-B2 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-02-20 | — | — | US | disclosed |
| CN-1296365-C | Imidazolinylmethyl aralkylsulfonamides | HOFFMANN LA ROCHE (CH) | 2007-01-24 | — | — | CN | disclosed |
| CN-1646516-A | Imidazolinylmethyl aralkylsulfonamides | HOFFMANN LA ROCHE (CH) | 2005-07-27 | — | — | CN | disclosed |
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | disclosed |
| EP-1501817-A1 | IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-02 | — | — | EP | disclosed |
| US-20040229858-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-11-18 | — | — | US | disclosed |
| US-20040214875-A1 | Imidazolinylmethyl aralkylsulfonamides | ROCHE PALO ALTO LLC | 2004-10-28 | — | — | US | disclosed |
| US-6756395-B2 | CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS | ROCHE PALO ALTO LLC | 2004-06-29 | — | — | US | disclosed |
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |
| US-20030229130-A1 | IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES | ROCHE PALO ALTO LLC. | 2003-12-11 | — | — | US | disclosed |
| WO-2003091236-A1 | IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-06 | — | — | WO | disclosed |
| US-20030078249-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-24 | — | — | US | disclosed |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040214875-A1 | Imidazolinylmethyl aralkylsulfonamides | RPS6KA1, RPS6KB1, RPS6KA6 | ALDH1A1 351/4885MAPT 4847/4885LMNA 3490/4885 |
| US-20030078249-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGA4 | ALDH1A1 146/4885MAPT 3229/4885LMNA 2308/4885 |
| US-20070054909-A1 | VLA-4 inhibitor compounds | VCAM1, ITGB4, ICAM1 | ALDH1A1 120/4885MAPT 3296/4885LMNA 2312/4885 |
| US-20040229858-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGB4 | ALDH1A1 135/4885MAPT 3414/4885LMNA 2327/4885 |
| US-20030229130-A1 | IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES | RPS6KA1, RPS6KB1, RPS6KA6 | ALDH1A1 351/4885MAPT 4847/4885LMNA 3490/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.