Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23508680 | 0.77 | OPRD1 (0.38) | ALDH1A1MAPTGLAHPGDACHE | |
| SCHEMBL23508683 | 0.76 | OPRD1 (0.41) | CYP2D6HTR2CHTR3EHTR3BSLC6A4 | |
| SCHEMBL29634711 | 0.72 | HDAC3 (0.30) | — | |
| SCHEMBL24409009 | 0.72 | HDAC3 (0.30) | — | |
| SCHEMBL29634730 | 0.70 | CHRNB2 (0.43) | ALDH1A1HPGDCYP3A4MAPK1HSD17B10 | |
| SCHEMBL13161926 | 0.70 | CHRNB2 (0.43) | ALDH1A1HPGDCYP3A4MAPK1HSD17B10 | |
| SCHEMBL231585 | 0.68 | OPRD1 (0.49) | CYP3A4KMT2AMEN1CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL10502202 | 0.67 | OPRD1 (0.48) | CYP3A4KMT2AMEN1CYP2D6CYP2C9 | |
| Acridine SCHEMBL27523545 | 0.66 | ALDH1A1 (0.71) | ALDH1A1MAPTGLAHPGDACHE | |
| SCHEMBL22744378 | 0.66 | MAPT (0.38) | ALDH1A1MAPTGLAHPGDACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |