Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL160606 | 0.98 | SLC22A1 (0.52) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Trifluoromethanesulfonic Acid SCHEMBL302257 | 0.94 | SLC22A1 (0.52) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Tetrapentylammonium SCHEMBL2862365 | 0.94 | SLC22A1 (0.52) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Trifluoromethanesulfonic Acid SCHEMBL2857301 | 0.92 | SLC22A1 (0.54) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Tetrahexylammonium SCHEMBL2862383 | 0.92 | SLC22A1 (0.54) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL1363406 | 0.90 | SLC22A1 (0.44) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Trifluoromethanesulfonic Acid SCHEMBL34613 | 0.89 | SLC22A1 (0.43) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Trifluoromethanesulfonic Acid SCHEMBL17180006 | 0.88 | DNM1 (0.56) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Trifluoromethanesulfonic Acid SCHEMBL34569 | 0.87 | SLC22A1 (0.41) | SLC22A1EPHX1SLC22A2ALDH1A1TP53 | |
| Trifluoromethanesulfonic Acid SCHEMBL3129636 | 0.87 | EPHX1 (0.56) | EPHX1HSD17B10CES1FAAHCES2 |
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-5318989-A | Antitumor and -carcinogenic agents; antibiotics; aglycones of esperamycins and calichemicins and having the same mechanism of bioactivity | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0538898-A2 | Cytotoxic bicyclo (7.3.1)-tridec-4-ene-2,6-diyne compounds and process for the preparation thereof | Bristol-Myers Squibb Company (US) | 1993-04-28 | — | — | EP | disclosed |
| US-5198560-A | Antitumor agents based on esperamicin antibiotics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-03-30 | — | — | US | disclosed |