Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 1/20 | 0.52 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.52 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1128406 | 0.80 | CYP2A6 (0.46) | CES2CES1CYP1A2CA1CA2 | |
| Naphthalene SCHEMBL2263115 | 0.68 | CYP2A6 (0.67) | CES2CES1CYP1A2CA1CA2 | |
| Benzene Selenoic Acid SCHEMBL8752795 | 0.67 | BBOX1 (0.94) | BBOX1EHMT2EHMT1CES2CES1 | |
| Betanaphthol SCHEMBL27765120 | 0.65 | CYP1A2 (0.94) | CYP1A2NPC1RAB9ACYP3A4HSD17B10 | |
| Betanaphthol SCHEMBL7614327 | 0.65 | CYP1A2 (0.94) | CYP1A2NPC1RAB9ACYP3A4HSD17B10 | |
| Naphthalene SCHEMBL28219404 | 0.64 | CYP2A6 (0.73) | CES2CES1CYP1A2CA1CA2 | |
| Naphthalene SCHEMBL27886370 | 0.64 | CYP2A6 (0.73) | CES2CES1CYP1A2CA1CA2 | |
| Anthracene SCHEMBL3187575 | 0.64 | CYP2A6 (0.73) | CES2CES1CYP1A2CA1CA2 | |
| Anthracene SCHEMBL11345157 | 0.64 | CYP2A6 (0.58) | CYP1A2CA1CA2CYP2A6ALDH1A1 | |
| Anthracene SCHEMBL5713428 | 0.64 | CYP2A6 (0.73) | CES2CES1CYP1A2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5614562-A | Method of treating drug resistant tumor cells using organoselenones | THE UNIVERSITY OF SOURTHERN CALIFORNIA (US) | 1997-03-25 | — | — | US | disclosed |