Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 5/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 4/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.36 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9867620 | 0.85 | ADAMTS4 (0.39) | ALDH1A1SMN1; SMN2CYP1A2GAACYP2C9 | |
| SCHEMBL9866248 | 0.83 | LMNA (0.45) | ALDH1A1SMN1; SMN2CA1CA2MMP1 | |
| SCHEMBL9866038 | 0.80 | PDE4A (0.37) | ALDH1A1SMN1; SMN2MMP13LMNANFE2L2 | |
| SCHEMBL9866464 | 0.78 | NFE2L2 (0.33) | ALDH1A1SMN1; SMN2MMP13LMNAGAA | |
| SCHEMBL9867014 | 0.78 | SCN1A (0.31) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9867057 | 0.77 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2SLC40A1LMNAGAA | |
| SCHEMBL9868164 | 0.76 | KDM4E (0.40) | ALDH1A1MAPTHTTCYP1A2POLB | |
| SCHEMBL9868357 | 0.75 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2CA1CA2LMNA | |
| SCHEMBL9867677 | 0.74 | CA1 (0.36) | ALDH1A1SMN1; SMN2CA1CA2MMP1 | |
| SCHEMBL9866105 | 0.74 | CA12 (0.33) | ALDH1A1SMN1; SMN2CA2ENPP3ENPP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4987141-A | DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-22 | — | — | US | disclosed |