Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 1/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.53 |
| ▸ | ITGAV | P06756 | 2/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.53 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.53 |
| ▸ | ANPEP | P15144 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | DDX3X | O00571 | 1/20 | 0.50 |
| ▸ | 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 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.48 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6208555 | 0.85 | SMN1; SMN2 (0.57) | RAB9AALDH1A1DDX3XCYP1A2CYP3A4 | |
| SCHEMBL6727015 | 0.83 | CYP1A2 (0.53) | ITGB3ITGAVITGB1ITGA5ANPEP | |
| SCHEMBL5194469 | 0.81 | PYGL (0.69) | CYP2C9 | |
| SCHEMBL20335118 | 0.81 | LMNA (0.69) | ITGB3ITGAVITGB1ITGA5ANPEP | |
| SCHEMBL20335119 | 0.81 | LMNA (0.69) | ITGB3ITGAVITGB1ITGA5ANPEP | |
| Benzene SCHEMBL11580764 | 0.80 | ANPEP (0.61) | ITGB3ITGAVITGB1ITGA5ANPEP | |
| SCHEMBL2483409 | 0.80 | RAB9A (0.48) | ITGB3ITGAVITGB1ITGA5NPC1 | |
| SCHEMBL6717705 | 0.80 | HTT (0.46) | ITGB3ITGAVITGB1ITGA5ANPEP | |
| SCHEMBL6715799 | 0.79 | CYP1A2 (0.53) | ITGB3ITGAVITGB1ITGA5NPC1 | |
| SCHEMBL28920385 | 0.79 | POLB (0.56) | ITGB3ITGAVITGB1ITGA5NPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20030078249-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-24 | — | — | US | disclosed |
| EP-1235793-A2 | VLA-4 INTEGRIN ANTAGONISTS | Novartis AG (CH) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001042192-A2 | VLA-4 INTEGRIN ANTAGONISTS | NOVARTIS AG (CH) | 2001-06-14 | — | — | WO | disclosed |
| EP-0842196-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997003094-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1997-01-30 | — | — | 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 (1 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-20030078249-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGA4 | FPR2 392/4885ITGB3 17/4885ITGAV 12/4885 |
“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.