Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9850520 | 0.84 | CA12 (0.56) | CYP1A2CYP2C19CA12CA4CA7 | |
| SCHEMBL12608238 | 0.82 | CYP2C19 (0.72) | CYP1A2CYP2C19MAPTHDAC3HDAC4 | |
| SCHEMBL12456328 | 0.82 | CYP2C19 (0.72) | CYP1A2CYP2C19MAPTHDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL9850536 | 0.81 | ALDH1A1 (0.70) | CA12CA4CA7CA9CA14 | |
| SCHEMBL9850405 | 0.80 | CYP2C19 (0.66) | CYP1A2CYP2C19MAPTHDAC3HDAC4 | |
| SCHEMBL23795028 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2C19CA12CA4CA7 | |
| SCHEMBL1952761 | 0.79 | CYP1A2 (0.68) | CYP1A2CYP2C19MAPTHDAC3HDAC4 | |
| SCHEMBL9523938 | 0.79 | CYP1A2 (0.68) | CYP1A2CYP2C19CA12CA4CA7 | |
| SCHEMBL3138344 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP2C19MAPTHDAC3HDAC4 | |
| SCHEMBL11283741 | 0.78 | CA12 (0.77) | CYP1A2CYP2C19CA12CA4CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0443862-A1 | Triamine derivatives and their acid-addition salts | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1991-08-28 | — | — | EP | disclosed |