Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 2/20 | 0.49 |
| ▸ | MMP9 | P14780 | 2/20 | 0.49 |
| ▸ | MMP13 | P45452 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10869544 | 1.00 | IDO1 (0.57) | IDO1EGFRERBB2POLBMMP1 | |
| SCHEMBL10620967 | 0.92 | CA1 (0.56) | MMP1MMP9MMP13CA1CA2 | |
| SCHEMBL10449067 | 0.89 | MMP2 (0.50) | IDO1MMP1MMP9MMP13CA1 | |
| SCHEMBL10449123 | 0.87 | ALDH1A1 (0.55) | EGFRPOLBMMP1MMP9MMP13 | |
| SCHEMBL10448918 | 0.85 | ALDH1A1 (0.52) | EGFRERBB2MMP1MMP9MMP13 | |
| SCHEMBL10448907 | 0.85 | ALDH1A1 (0.52) | EGFRERBB2MMP1MMP9MMP13 | |
| SCHEMBL10449124 | 0.83 | IDO1 (0.49) | IDO1EGFRERBB2MMP1MMP9 | |
| SCHEMBL10448742 | 0.83 | EGFR (0.48) | IDO1EGFRERBB2MMP1MMP9 | |
| SCHEMBL10449154 | 0.83 | EGFR (0.48) | IDO1EGFRERBB2MMP1MMP9 | |
| SCHEMBL10449155 | 0.82 | TSHR (0.49) | IDO1EGFRERBB2MMP1MMP9 |
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 3 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 |