Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10348702 | 0.80 | ERN1 (0.55) | ERN1MEN1KMT2AALDH1A1KDM4E | |
| Acetonitrile SCHEMBL29204821 | 0.79 | ERN1 (0.47) | CA1CA2ERN1MEN1KMT2A | |
| SCHEMBL11309875 | 0.79 | ERN1 (0.49) | CA1CA2HTTERN1MEN1 | |
| SCHEMBL59702 | 0.78 | CA1 (0.69) | CA1CA2HTTCLK1DYRK1A | |
| SCHEMBL342278 | 0.78 | ERN1 (0.57) | ERN1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL29388184 | 0.78 | ERN1 (0.57) | ERN1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL18322219 | 0.78 | HTT (0.53) | CA1CA2HTTCLK1DYRK1A | |
| SCHEMBL1428240 | 0.77 | ERN1 (0.55) | CA1CA2HTTERN1MCL1 | |
| SCHEMBL1573749 | 0.77 | CA1 (0.50) | CA1CA2HTTMEN1KMT2A | |
| SCHEMBL985197 | 0.77 | ERN1 (0.46) | ERN1MEN1KMT2AALDH1A1PADI4 |
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-4803226-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4803221-A | Anthracene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4719047-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719049-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |