Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | NAT1 | P18440 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10449067 | 0.93 | MMP2 (0.50) | IDO1MEN1KMT2ALMNAHTT | |
| SCHEMBL10448678 | 0.90 | BCAT1 (0.47) | MEN1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL10448742 | 0.87 | EGFR (0.48) | IDO1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL10449154 | 0.87 | EGFR (0.48) | IDO1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL10449155 | 0.86 | TSHR (0.49) | IDO1ALDH1A1CA1CA2MMP1 | |
| SCHEMBL10871212 | 0.86 | TSHR (0.49) | IDO1ALDH1A1CA1CA2MMP1 | |
| SCHEMBL10448709 | 0.85 | CA12 (0.56) | MEN1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL10448943 | 0.84 | ALDH1A1 (0.50) | MEN1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL10449126 | 0.84 | L3MBTL1 (0.49) | MEN1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL10620308 | 0.84 | L3MBTL1 (0.53) | MEN1KMT2ALMNAHTTALDH1A1 |
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 |