Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6613964 | 0.86 | CYP1A2 (0.48) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL6609444 | 0.84 | CYP1A2 (0.45) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL5843822 | 0.82 | CA12 (0.59) | TSHRLMNATDP1ALDH1A1MAPK1 | |
| SCHEMBL6611018 | 0.82 | SMN1; SMN2 (0.47) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL6614762 | 0.80 | MGLL (0.60) | TSHRALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL6610317 | 0.78 | HPGD (0.49) | TSHRRAB9ANPC1LMNATDP1 | |
| SCHEMBL6610873 | 0.78 | NR1I3 (0.45) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL6609944 | 0.77 | MAPT (0.49) | CYP1A2TSHRRAB9ANPC1KDM4E | |
| SCHEMBL6614771 | 0.74 | NPSR1 (0.53) | RAB9ANPC1KDM4ELMNATDP1 | |
| SCHEMBL6615276 | 0.73 | ACHE (0.45) | CYP1A2MAOACYP2C9RAB9ANPC1 |
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-1463724-A1 | PYRROLIDONE CARBOXAMIDES | Actelion Pharmaceuticals Ltd. (CH) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003059905-A1 | PYRROLIDONE CARBOXAMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2003-07-24 | — | — | WO | disclosed |