Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | GABRE | P78334 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.36 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28042722 | 0.95 | KCNH2 (0.42) | HSD11B1CNR2KCNH2TSHRCYP19A1 | |
| Toluene SCHEMBL29001023 | 0.90 | TSHR (0.38) | CNR2TSHRNOS2LMNAALOX12 | |
| SCHEMBL2644425 | 0.86 | — | — | |
| SCHEMBL628308 | 0.81 | KCNH2 (0.44) | KCNH2CYP19A1 | |
| Pyridazine SCHEMBL29178552 | 0.80 | KCNH2 (0.34) | GABRPGABRDGABRA1IDO1GABRB1 | |
| Toluene SCHEMBL28042841 | 0.80 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL243705 | 0.79 | KCNH2 (0.47) | KCNH2LMNAACHECYP19A1KDM4E | |
| SCHEMBL5601502 | 0.79 | KCNH2 (0.47) | KCNH2LMNAACHECYP19A1KDM4E | |
| SCHEMBL5603669 | 0.79 | KCNH2 (0.47) | KCNH2LMNAACHECYP19A1KDM4E | |
| SCHEMBL5600895 | 0.79 | KCNH2 (0.47) | KCNH2LMNAACHECYP19A1KDM4E |
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-109642331-A | For alleviating the benzotriazole and tolytriazole derivative of corrosion | 艺康美国股份有限公司 | 2019-04-16 | — | — | CN | claimed |
| CN-109642331-A | For alleviating the benzotriazole and tolytriazole derivative of corrosion | 艺康美国股份有限公司 | 2019-04-16 | — | — | CN | disclosed |