Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31523277 | 0.78 | CYP3A4 (0.46) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL31614761 | 0.76 | CYP3A4 (0.57) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL25466066 | 0.75 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL21244383 | 0.73 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL24034376 | 0.73 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL20571643 | 0.73 | CYP3A4 (0.47) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL22958301 | 0.73 | CYP3A4 (0.42) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL29726301 | 0.73 | CYP3A4 (0.42) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL25184011 | 0.73 | CYP3A4 (0.52) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19983131 | 0.73 | CYP3A4 (0.52) | CYP3A4TSHRTDP1ATMALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117263942-A | SHP2 phosphatase inhibitors and methods of use thereof | 传达治疗有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-112166110-B | SHP2 phosphatase inhibitors and methods of use thereof | 传达治疗有限公司 | 2023-08-11 | — | — | CN | disclosed |