Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 5/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28916103 | 0.92 | EPHX1 (0.52) | EPHX1 | |
| SCHEMBL29170600 | 0.82 | TDP1 (0.33) | EPHX1ALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL30500332 | 0.81 | CHRNB2 (0.36) | EPHX1CA1CA2CTSKALDH1A1 | |
| SCHEMBL6463829 | 0.81 | NAAA (0.32) | EPHX1ALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL30816846 | 0.79 | TDP1 (0.31) | EPHX1ALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL28727569 | 0.79 | CA1 (0.39) | EPHX1CA1CA2CTSKACHE | |
| SCHEMBL21912604 | 0.79 | TDP1 (0.36) | EPHX1ALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL14520407 | 0.79 | TDP1 (0.35) | EPHX1ALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL4887141 | 0.79 | EPHX1 (0.38) | EPHX1CA1ALDH1A1TDP1TSHR | |
| SCHEMBL8646937 | 0.79 | CA1 (0.38) | CA1CA2ALDH1A1TSHRHSD17B10 |
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-116438182-A | 7-azaindole compounds for inhibiting BCR-ABL tyrosine kinase | 活力疗法公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-116096719-A | Pyridazinylamino derivatives as ALK5 inhibitors | 奇斯药制品公司 | 2023-05-09 | — | — | CN | disclosed |