Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.33 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 6/20 | 0.32 |
| ▸ | MAPT | P10636 | 6/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1457285 | 0.81 | CYP1A2 (0.35) | CYP1A2LMNAALDH1A1RAB9AMAPT | |
| SCHEMBL15002801 | 0.81 | CYP1A2 (0.35) | CYP1A2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL12228821 | 0.79 | CYP1A2 (0.53) | CYP1A2LMNACYP3A4MAOAALDH1A1 | |
| SCHEMBL12158914 | 0.79 | DGAT1 (0.40) | CYP1A2LMNAALDH1A1MEN1KMT2A | |
| SCHEMBL15633367 | 0.79 | NNMT (0.49) | CYP1A2LMNAALDH1A1RAB9AMAPT | |
| SCHEMBL13052055 | 0.76 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL14967247 | 0.76 | CYP1A2 (0.42) | CYP1A2RAB9AMAPTCA1CA2 | |
| SCHEMBL18281305 | 0.75 | MAPK1 (0.36) | CYP1A2LMNAALDH1A1MEN1KMT2A | |
| SCHEMBL1163460 | 0.74 | HSP90AA1 (0.37) | ALDH1A1MEN1KMT2ARAB9AMAPT | |
| SCHEMBL22409166 | 0.72 | LMNA (0.33) | LMNA |
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-115260211-B | Thiophene condensed ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-115260211-A | Thiophene fused ring containing derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-01 | — | — | CN | disclosed |