Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 8/20 | 0.57 |
| ▸ | CA9 | Q16790 | 8/20 | 0.57 |
| ▸ | CA1 | P00915 | 7/20 | 0.57 |
| ▸ | CA12 | O43570 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 4/20 | 0.48 |
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.47 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| Sulfalene SCHEMBL28086248 | 0.81 | MEN1 (0.90) | MEN1KMT2ACA2CA9CA1 | |
| SCHEMBL7052503 | 0.79 | ESR1 (0.61) | CA2CA9CA1CA12EGFR | |
| SCHEMBL26656469 | 0.76 | CA1 (0.47) | CA2CA9CA1CA12IKBKB | |
| Sulfalene SCHEMBL28404 | 0.73 | MEN1 (1.00) | MEN1KMT2AMAPTGAAALDH1A1 | |
| Sulfalene SCHEMBL1893333 | 0.73 | MEN1 (1.00) | MEN1KMT2AMAPTGAAALDH1A1 | |
| Sulfanilamide SCHEMBL27917543 | 0.73 | KMT2A (0.55) | MEN1KMT2ACA2CA9CA1 | |
| SCHEMBL28747203 | 0.73 | CA1 (0.67) | MEN1KMT2ACA2CA9CA1 | |
| SCHEMBL24477607 | 0.72 | CA2 (0.59) | CA2CA9CA1CA12IKBKB | |
| SCHEMBL24477734 | 0.72 | CDK2 (0.60) | CA2CA9CA1CA12IKBKB | |
| SCHEMBL27962184 | 0.72 | CA1 (0.62) | CA2CA9CA1CA12EGFR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0255100-A2 | Use of trimetrexate and its salts for the preparation of pharmaceutical compositions for treating infections of the mycobacterium-avium-intracellulare complex | WARNER-LAMBERT COMPANY (US) | 1988-02-03 | — | — | EP | claimed |