Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7031014 | 0.96 | CYP19A1 (0.31) | ALDH1A1 | |
| SCHEMBL7647078 | 0.88 | KMO (0.33) | ALDH1A1 | |
| Biphenyl SCHEMBL7060479 | 0.79 | ALDH1A1 (0.36) | ALDH1A1MAPK1TAAR1HSD17B10TDP1 | |
| SCHEMBL8673364 | 0.77 | ALDH1A1 (0.36) | ALDH1A1MAPK1CYP1A2CYP3A4TAAR1 | |
| SCHEMBL4384850 | 0.75 | DRD2 (0.38) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8584835 | 0.74 | ALDH1A1 (0.33) | ALDH1A1MAPK1CYP1A2CYP3A4TAAR1 | |
| Hydrochloric Acid SCHEMBL7193279 | 0.74 | ALDH1A1 (0.33) | ALDH1A1MAPK1CYP1A2CYP3A4TAAR1 | |
| SCHEMBL8022719 | 0.74 | ALDH1A1 (0.33) | ALDH1A1MAPK1CYP1A2CYP3A4TAAR1 | |
| SCHEMBL7025983 | 0.74 | RXRA (0.32) | — | |
| SCHEMBL7634910 | 0.74 | CNR1 (0.35) | ALDH1A1TDP1 |
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-6479685-B2 | POLYMERIZING ETHYLENE AND ANOTHER ALPHA-OLEFIN IN THE PRESENCE OF AN UNBRIDGED, ROTATING, NON-RIGID FLUXIONAL METALLOCENE CATALYST COMPONENT AND A CO-CATALYST | THE BOARD OF TRUSTEES OF THE LELAND STANDARD JUNIOR UNIVERSITY | 2002-11-12 | — | — | US | disclosed |