Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19782519 | 1.00 | ALDH1A1 (0.53) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL7998251 | 0.83 | CYP3A4 (0.56) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL9722840 | 0.81 | CYP3A4 (0.58) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11363181 | 0.81 | HSD17B10 (0.64) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL10971640 | 0.81 | CYP3A4 (0.54) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL19782618 | 0.81 | F2RL3 (0.44) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11151695 | 0.80 | ALDH1A1 (0.62) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL30189939 | 0.80 | ALDH1A1 (0.62) | ALDH1A1LMNACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL14044812 | 0.77 | HSD17B10 (0.68) | ALDH1A1LMNACYP3A4SMN1; SMN2TDP1 | |
| SCHEMBL474219 | 0.77 | ALDH1A1 (0.61) | ALDH1A1LMNASMN1; SMN2TDP1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |