Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 13/20 | 0.40 |
| ▸ | HTR2C | P28335 | 10/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8874318 | 0.88 | CYP3A4 (0.41) | HTR2AHTR2CMAOAHRH1RXRA | |
| Fumaric Acid SCHEMBL8874309 | 0.88 | CYP3A4 (0.41) | HTR2AHTR2CMAOAHRH1RXRA | |
| SCHEMBL7284322 | 0.87 | HTR2A (0.44) | HTR2AHTR2CHRH1KDM4ENPC1 | |
| SCHEMBL9238629 | 0.84 | CYP2A6 (0.40) | HTR2AMAOAMAPTHPGD | |
| SCHEMBL9232942 | 0.78 | KMT2A (0.38) | HTR2AHTR2CMAOAHRH1KDM4E | |
| SCHEMBL9239106 | 0.75 | HTR2C (0.69) | HTR2AHTR2CKDM4EALDH1A1HPGD | |
| Fumaric Acid SCHEMBL8874359 | 0.74 | MITF (0.40) | HTR2AHTR2CMAOAHRH1RXRA | |
| SCHEMBL12758127 | 0.73 | DRD1 (0.46) | MAOAKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL4359389 | 0.71 | HTR2C (0.40) | HTR2AHTR2CMAOAHRH1PNMT | |
| SCHEMBL9233567 | 0.70 | BCHE (0.37) | HTR2AHTR2CPNMTADRA2AADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1057083-C | Tricyclic 1-aminoethylpyrrol derivative | HOFFMANN LA ROCHE (CH) | 2000-10-04 | — | — | CN | disclosed |
| EP-0657426-A2 | Tricyclic pyrrole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-14 | — | — | EP | disclosed |