Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.34 |
| ▸ | PRKCG | P05129 | 2/20 | 0.34 |
| ▸ | PRKCB | P05771 | 2/20 | 0.34 |
| ▸ | PRKCA | P17252 | 2/20 | 0.34 |
| ▸ | PRKCH | P24723 | 2/20 | 0.34 |
| ▸ | PRKCI | P41743 | 2/20 | 0.34 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.34 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.34 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.34 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2847668 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL6545523 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL284277 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL5313598 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL12977806 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL23495987 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL11148662 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL10787246 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL9622281 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 | |
| SCHEMBL283556 | 0.80 | ALDH1A1 (1.00) | ALDH1A1EPHX1CYP1A2TDP1SPHK1 |
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-5744459-A | ANTITUMOR AGENTS | UNIVERSITY OF CONNECTICUT (US) | 1998-04-28 | — | — | US | disclosed |