Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10448705 | 0.83 | CA1 (0.52) | USP2HPGDHSD17B10HSP90AA1ALDH1A1 | |
| SCHEMBL10448678 | 0.77 | BCAT1 (0.47) | KEAP1ALDH1A1CA9BCAT1CA12 | |
| SCHEMBL3174757 | 0.74 | HSP90AA1 (0.57) | USP2HPGDHSD17B10HSP90AA1ALDH1A1 | |
| SCHEMBL7215570 | 0.74 | CA1 (0.52) | KEAP1HPGDHSD17B10ALDH1A1BCAT1 | |
| SCHEMBL14951927 | 0.71 | HSP90AA1 (0.53) | USP2HPGDHSD17B10HSP90AA1ALDH1A1 | |
| SCHEMBL7593278 | 0.71 | PRSS1 (0.54) | USP2HPGDHSD17B10HSP90AA1ALDH1A1 | |
| SCHEMBL10448709 | 0.70 | CA12 (0.56) | KEAP1USP2HPGDALDH1A1CYP1A2 | |
| SCHEMBL24360900 | 0.69 | CA1 (0.57) | KEAP1HPGDALDH1A1CA9CA1 | |
| SCHEMBL3822620 | 0.69 | HSP90AA1 (0.61) | USP2HPGDHSD17B10HSP90AA1ALDH1A1 | |
| SCHEMBL16177890 | 0.69 | PSIP1 (0.48) | KEAP1ALDH1A1BCAT1CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4892887-A | ANTITUMOR | YALE UNIVERSITY (US) | 1990-01-09 | — | — | US | disclosed |
| EP-0185387-B1 | NOVEL, N,N'BIS(SULFONYL) HYDRAZINES HAVING ANTINEOPLASTIC ACTIVITY | YALE UNIVERSITY (US) | 1988-12-14 | — | — | EP | disclosed |
| US-4684747-A | ANTITUMOR, ALKYLATING AGENTS | YALE UNIVERSITY (US) | 1987-08-04 | — | — | US | disclosed |
| EP-0185387-A1 | Novel, N,N'bis(sulfonyl) hydrazines having antineoplastic activity | YALE UNIVERSITY (US) | 1986-06-25 | — | — | EP | disclosed |