Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CPN1 | P15169 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28721610 | 0.82 | — | — | |
| SCHEMBL6622199 | 0.81 | MAOB (0.34) | CYP3A4CASP1RECQLALDH1A1CPN1 | |
| SCHEMBL7310726 | 0.80 | IDO1 (0.39) | CYP3A4ALDH1A1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL840464 | 0.80 | ADRB1 (0.45) | CYP3A4ALDH1A1SLC6A3ADRB1ADRB2 | |
| SCHEMBL8344764 | 0.80 | TP53 (0.40) | ALDH1A1TP53TSHRTDP1 | |
| SCHEMBL4380249 | 0.80 | PNMT (0.36) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4406045 | 0.79 | MAPT (0.33) | CYP3A4ALDH1A1MAPK1MAPTTDP1 | |
| SCHEMBL7124643 | 0.79 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL4502129 | 0.77 | TAAR1 (0.45) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL481290 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TSHRADRA1A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586617-B2 | Aminomethyl-4-imidazoles | HOFFMANN-LA ROCHE INC. (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2076497-B1 | AMINOMETHYL-4-IMIDAZOLES | HOFFMANN LA ROCHE (CH) | 2012-02-22 | — | — | EP | disclosed |
| US-7714009-B2 | Nitrogen-containing fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-11 | — | — | US | disclosed |
| EP-2076497-A1 | AMINOMETHYL-4-IMIDAZOLES | F. Hoffmann-Roche AG (CH) | 2009-07-08 | — | — | EP | disclosed |
| US-20080119535-A1 | AMINOMETHYL-4-IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-22 | — | — | US | disclosed |
| WO-2008046757-A1 | AMINOMETHYL-4-IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-04-24 | — | — | WO | disclosed |
| US-20070135452-A1 | Nitrogen-containing fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-06-14 | — | — | US | 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 (2 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-20070135452-A1 | Nitrogen-containing fused heterocyclic compounds | NPY4R, NR4A3, NR3C2 | CYP3A4 428/4885CASP1 3631/4885RECQL 4121/4885 |
| US-20080119535-A1 | AMINOMETHYL-4-IMIDAZOLES | INMT, HTR4, MC4R | CYP3A4 22/4885CASP1 1906/4885RECQL 3901/4885 |
“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.