Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL1161537 | 0.85 | CYP3A4 (0.55) | PDE10ACYP3A4ALDH1A1GFERSMN1; SMN2 | |
| SCHEMBL1161533 | 0.74 | CYP3A4 (0.55) | PDE10ACYP3A4ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL1663473 | 0.71 | LMNA (0.63) | PDE10ACYP3A4ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL1464928 | 0.70 | CYP3A4 (0.56) | PDE10ACYP3A4ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL31267402 | 0.70 | ALDH1A1 (0.55) | ALDH1A1GFERSMN1; SMN2MAPTRAB9A | |
| SCHEMBL30186041 | 0.69 | KDM4E (0.59) | ALDH1A1KMT2AMAPTRAB9AMEN1 | |
| SCHEMBL6930235 | 0.69 | KDM4E (0.59) | ALDH1A1KMT2AMAPTRAB9AMEN1 | |
| SCHEMBL4394401 | 0.69 | USP2 (0.77) | CYP3A4ALDH1A1SMN1; SMN2KMT2AUSP2 | |
| SCHEMBL28694003 | 0.69 | SMN1; SMN2 (0.65) | PDE10ACYP3A4SMN1; SMN2KMT2AUSP2 | |
| SCHEMBL29260843 | 0.69 | SMN1; SMN2 (0.49) | PDE10ACYP3A4ALDH1A1SMN1; SMN2KMT2A |
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-117561258-A | Novel substituted tricyclic aza heterocycles as SOS1 inhibitors | 唯久生物技术(苏州)有限公司 | 2024-02-13 | — | — | CN | disclosed |