Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17982780 | 1.00 | CYP3A4 (0.51) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| SCHEMBL29087344 | 0.86 | CYP3A4 (0.47) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| SCHEMBL28889655 | 0.86 | ACHE (0.48) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL29087406 | 0.85 | POLB (0.46) | CYP3A4HSD17B10SIGMAR1CYP2D6ALDH1A1 | |
| SCHEMBL9034344 | 0.84 | OPRL1 (0.55) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| SCHEMBL6042326 | 0.82 | OPRL1 (0.66) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| SCHEMBL23660796 | 0.79 | OPRM1 (0.69) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| SCHEMBL23647439 | 0.79 | TSHR (0.54) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| SCHEMBL31158302 | 0.79 | TSHR (0.54) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 | |
| SCHEMBL2476831 | 0.79 | OPRL1 (0.65) | CYP3A4HSD17B10SIGMAR1TSHRCYP2C19 |
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-114867720-B | Heteroaryl derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-10-22 | — | — | CN | disclosed |