Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29226009 | 0.91 | CYP1A2 (0.54) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL2329509 | 0.88 | CYP1A2 (0.57) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL11379626 | 0.86 | CYP1A2 (0.53) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL3873363 | 0.86 | CYP1A2 (0.48) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| Hydrochloric Acid SCHEMBL28207881 | 0.85 | CYP1A2 (0.53) | CYP1A2L3MBTL1ALDH1A1KMT2APOLB | |
| SCHEMBL28054901 | 0.85 | CYP1A2 (0.44) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL2217148 | 0.84 | GABRP (0.52) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL10941854 | 0.84 | CYP1A2 (0.47) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL10941864 | 0.84 | CYP1A2 (0.47) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL6035487 | 0.83 | CYP1A2 (0.54) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1085980-C | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 2002-06-05 | — | — | CN | disclosed |
| CN-1201454-A | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 1998-12-09 | — | — | CN | disclosed |