Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | GABRP | O00591 | 2/20 | 0.50 |
| ▸ | GABRD | O14764 | 2/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.50 |
| ▸ | GABRE | P78334 | 2/20 | 0.50 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.50 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.50 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.50 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.50 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.41 |
| ▸ | KDM4A | O75164 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27701455 | 0.86 | CYP1A2 (0.46) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL791764 | 0.77 | CYP1A2 (1.00) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7321898 | 0.77 | CYP1A2 (1.00) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL28750 | 0.77 | CYP1A2 (1.00) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL27984346 | 0.76 | FOLH1 (0.43) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL27489643 | 0.76 | GABRP (0.41) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL12658700 | 0.75 | CYP1A2 (0.68) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL2344610 | 0.75 | CYP1A2 (0.68) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL11536234 | 0.75 | — | — | |
| SCHEMBL10883495 | 0.75 | CYP1A2 (0.95) | CYP1A2GABRPGABRDGABRA1GABRB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101062916-A | Three-substituted 1H-pyrromonazole compound, preparation method, medicament composition and pharmacy use thereof | POISON MED INST PLA MED ACAD (CN) | 2007-10-31 | — | — | CN | claimed |
| CN-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |
| CN-105658639-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-101062916-B | Three-substituted 1H-pyrromonazole compound, preparation method, medicament composition and pharmacy use thereof | INST PHARM & TOXICOLOGY AMMS | 2012-12-26 | — | — | CN | disclosed |
| CN-101062916-A | Three-substituted 1H-pyrromonazole compound, preparation method, medicament composition and pharmacy use thereof | POISON MED INST PLA MED ACAD (CN) | 2007-10-31 | — | — | CN | disclosed |