Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20320367 | 0.78 | PGR (0.41) | PGRSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL7727749 | 0.75 | ACP3 (0.41) | PGRMEN1KMT2ACYP2C19MAPT | |
| SCHEMBL2721689 | 0.73 | ESR1 (0.39) | PGRMEN1KMT2ACYP2C19MAPT | |
| SCHEMBL1515735 | 0.69 | ACP3 (0.49) | PGRSMN1; SMN2MEN1KMT2ACYP2C19 | |
| SCHEMBL3398965 | 0.67 | CYP19A1 (0.39) | PGRCYP2C19MAPTALDH1A1KDM4E | |
| SCHEMBL2724490 | 0.66 | CES2 (0.36) | PGRMEN1KMT2ACYP2C19MAPT | |
| SCHEMBL3663698 | 0.66 | CNR1 (0.53) | PGRMEN1KMT2ACYP2C19MAPT | |
| SCHEMBL5069784 | 0.66 | CYP2C19 (0.44) | CYP2C19KDM4ETSHRHPGD | |
| SCHEMBL6960418 | 0.66 | ALDH1A1 (0.35) | SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL7038606 | 0.64 | ADRB2 (0.42) | PGRMEN1KMT2ACYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896394-A1 | SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | The Regents of the University of California (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006138510-A1 | SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-12-28 | — | — | WO | disclosed |