Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10620967 | 0.94 | CA1 (0.56) | ALDH1A1FFAR4LMNACA1CA2 | |
| SCHEMBL10617959 | 0.89 | GAA (0.53) | ALDH1A1FFAR4MEN1KMT2ALMNA | |
| SCHEMBL10448952 | 0.87 | IDO1 (0.57) | ALDH1A1FFAR4LMNACA1CA2 | |
| SCHEMBL10869544 | 0.87 | IDO1 (0.57) | ALDH1A1FFAR4LMNACA1CA2 | |
| SCHEMBL10448907 | 0.87 | ALDH1A1 (0.52) | ALDH1A1FFAR4MEN1KMT2ALMNA | |
| SCHEMBL10448918 | 0.87 | ALDH1A1 (0.52) | ALDH1A1FFAR4MEN1KMT2ALMNA | |
| SCHEMBL10448709 | 0.83 | CA12 (0.56) | ALDH1A1MEN1KMT2ALMNACA1 | |
| SCHEMBL10449154 | 0.81 | EGFR (0.48) | ALDH1A1MEN1KMT2ALMNACA1 | |
| SCHEMBL10449185 | 0.81 | LMNA (0.50) | ALDH1A1FFAR4MEN1KMT2ALMNA | |
| SCHEMBL10448742 | 0.81 | EGFR (0.48) | ALDH1A1MEN1KMT2ALMNACA1 |
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 |