Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10449151 | 0.83 | KEAP1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL10448954 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1HTTLMNA | |
| SCHEMBL3174757 | 0.77 | HSP90AA1 (0.57) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL30988541 | 0.74 | CA1 (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7593278 | 0.73 | PRSS1 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL14951927 | 0.73 | HSP90AA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL13325 | 0.72 | CA1 (0.63) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6492175 | 0.72 | CA1 (0.68) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL10900809 | 0.72 | HSP90AA1 (0.52) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL11707925 | 0.72 | HSP90AA1 (0.52) | CA1CA2MMP1MMP2MMP9 |
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 |