Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9115772 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL9615016 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL9615018 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL19243152 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL19209090 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL19209092 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL19243244 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL2832453 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL4693706 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CA12CA1 | |
| SCHEMBL2832450 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CA12CA1 |
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-5446203-A | Synthesis of haloenones and aryl or alkyl substituted enones or alkenes | NEW YORK UNIVERSITY (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0656878-A4 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES. | — | 1995-07-05 | — | — | EP | disclosed |
| EP-0656878-A1 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES | NEW YORK UNIVERSITY (US) | 1995-06-14 | — | — | EP | disclosed |
| WO-1994005617-A1 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES | NEW YORK UNIVERSITY (US) | 1994-03-17 | — | — | WO | disclosed |