Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | HK1 | P19367 | 1/20 | 0.55 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30473120 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL120088 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL29419014 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28429543 | 0.76 | KMT2A (0.61) | CYP2A6CYP3A4ALDH1A1CYP1A2HSD17B10 | |
| Phosphine SCHEMBL28126457 | 0.75 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28275760 | 0.75 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| Benzene SCHEMBL27934930 | 0.75 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL4831090 | 0.75 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27812368 | 0.75 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28301145 | 0.75 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 |
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-20030225228-A1 | Catalysts containing N-pyrrolyl substituted nitrogen donors | EASTMAN CHEMICAL COMPANY | 2003-12-04 | — | — | US | disclosed |
| US-6545108-B1 | Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se | EASTMAN CHEMICAL COMPANY | 2003-04-08 | — | — | US | disclosed |
| EP-1278784-A2 | CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS | EASTMAN CHEMICAL COMPANY (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001083571-A2 | CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS | EASTMAN CHEMICAL COMPANY (US) | 2001-11-08 | — | — | WO | disclosed |