Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10552036 | 1.00 | NPC1 (0.58) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL28367595 | 0.89 | SMN1; SMN2 (0.66) | RAB9AALDH1A1SMN1; SMN2POLBMAPK1 | |
| SCHEMBL31419814 | 0.89 | ALDH1A1 (0.56) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL5607040 | 0.84 | APAF1 (0.48) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL23045340 | 0.81 | TDO2 (0.54) | POLBHCAR1 | |
| SCHEMBL9954421 | 0.81 | MEN1 (0.51) | ALDH1A1KDM4ESMN1; SMN2PDE7APOLB | |
| SCHEMBL29623384 | 0.81 | TDO2 (0.54) | POLBHCAR1 | |
| SCHEMBL9954457 | 0.81 | HCAR1 (0.50) | NPC1RAB9ASMN1; SMN2MAPK1HCAR1 | |
| SCHEMBL15864324 | 0.80 | NPC1 (0.59) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL16346178 | 0.79 | ALDH1A1 (0.53) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 |
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-115427399-A | 2-heteroarylaminoquinazolinone derivatives | 住友制药株式会社 | 2022-12-02 | — | — | CN | disclosed |