Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | LTK | P29376 | 1/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10799637 | 0.89 | MAPT (0.43) | HTTCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL11044504 | 0.88 | CHEK1 (0.48) | HTTCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL11048207 | 0.88 | LMNA (0.42) | HTTCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL10391689 | 0.88 | HTT (0.48) | HTTCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL473377 | 0.86 | DRD4 (0.52) | MAPTCHEK1PIM1IDO1LTK | |
| SCHEMBL10891643 | 0.85 | MCHR1 (0.52) | HTTMAPTMCHR1LMNA | |
| Hydrochloric Acid SCHEMBL473353 | 0.84 | DRD4 (0.51) | MAPTCHEK1PIM1IDO1LTK | |
| SCHEMBL27343042 | 0.82 | DRD4 (0.50) | MAPTCHEK1PIM1IDO1LTK | |
| SCHEMBL11692138 | 0.82 | DRD4 (0.52) | MAPTCHEK1PIM1IDO1LTK | |
| SCHEMBL10887687 | 0.78 | KDM4E (0.51) | HTTCYP3A4MAPTCHEK1PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4485042-A | COLORFASTNESS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1984-11-27 | — | — | US | disclosed |
| EP-0073387-A1 | Water-soluble polyazo dyestuffs, their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1983-03-09 | — | — | EP | disclosed |