Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20000513 | 0.86 | CXCR4 (0.47) | HRH3HRH4CYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL10970453 | 0.83 | HRH3 (0.61) | HRH3HRH4CYP1A2HSD17B10PLD1 | |
| Hydrochloric Acid SCHEMBL30619069 | 0.81 | HRH3 (0.59) | HRH3HRH4CYP1A2HSD17B10PLD1 | |
| Hydrochloric Acid SCHEMBL26600764 | 0.81 | HRH3 (0.59) | HRH3HRH4CYP1A2HSD17B10PLD1 | |
| SCHEMBL9073284 | 0.80 | CASP1 (0.58) | HRH3HRH4CYP1A2HSD17B10CYP2C9 | |
| SCHEMBL9073321 | 0.79 | CASP1 (0.57) | HRH3HRH4CYP1A2HSD17B10CYP2C9 | |
| SCHEMBL11919248 | 0.78 | HRH3 (0.59) | HRH3HRH4CYP1A2HSD17B10PLD1 | |
| SCHEMBL9070498 | 0.78 | CASP1 (0.44) | HRH3HRH4CYP1A2HSD17B10CYP2C9 | |
| SCHEMBL9069479 | 0.78 | ADRB1 (0.55) | HRH3HRH4PLD1ADRB1HTR6 | |
| SCHEMBL9069858 | 0.78 | HRH4 (0.46) | HRH3HRH4HTR2A |
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-1030319-C | 20- and 21-amino steroid | EUPJOHN CORP (US) | 1995-11-22 | — | — | CN | disclosed |
| CN-86106226-A | 20-and 21-amino steroids | — | 1987-03-18 | — | — | CN | disclosed |