Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28782655 | 0.84 | TSHR (0.44) | MMP3TSHR | |
| SCHEMBL452394 | 0.73 | MMP3 (0.58) | MMP3ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL10505427 | 0.73 | PTGS1 (0.42) | MMP3ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL2465105 | 0.68 | TSHR (0.44) | MMP3ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL1982658 | 0.67 | TSHR (0.50) | ALDH1A1CYP2A6LOXL2KIF11TSHR | |
| Water SCHEMBL28104447 | 0.67 | — | — | |
| SCHEMBL2015 | 0.67 | — | — | |
| SCHEMBL623156 | 0.67 | CA2 (0.39) | MMP3ALDH1A1CYP2A6CA12CA2 | |
| SCHEMBL2750499 | 0.66 | MMP3 (0.38) | MMP3KIF11TSHR | |
| SCHEMBL1304450 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6762205-B1 | STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 2004-07-13 | — | — | US | disclosed |
| EP-1193250-A1 | PHENYL SULFAMATE DERIVATIVES | Teikoku Hormone Mfg. Co., Ltd. (JP) | 2002-04-03 | — | — | EP | disclosed |