Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL6948023 | 0.82 | HTR2C (0.58) | SLC6A4ALDH1A1HPGDMAOBMAOA | |
| SCHEMBL10779382 | 0.82 | SLC6A4 (0.44) | SLC6A4ALDH1A1HPGDMAOBMAOA | |
| SCHEMBL5322962 | 0.81 | MEN1 (0.44) | ALDH1A1HPGDMAOBMAOACHRNA7 | |
| Phenylacetaldehyde SCHEMBL31725265 | 0.78 | — | — | |
| Phenylacetaldehyde SCHEMBL18972 | 0.78 | — | — | |
| Phenylacetaldehyde SCHEMBL31402006 | 0.78 | — | — | |
| Phenylacetaldehyde SCHEMBL3319438 | 0.78 | MAOB (0.63) | ALDH1A1MAOBTP53ADH1BADH1C | |
| SCHEMBL28977321 | 0.78 | SLC6A4 (0.53) | SLC6A4ALDH1A1HPGDMAOBMAOA | |
| SCHEMBL2466593 | 0.77 | ALDH1A1 (0.37) | SLC6A4ALDH1A1HPGDMAOBMAOA | |
| SCHEMBL24917160 | 0.77 | SLC6A4 (0.55) | SLC6A4ALDH1A1HPGDMAOBMAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2099768-A2 | AGONISTS OF THE SPHINGOSINE-1-PHOSPHATE RECEPTOR | Praecis Pharmaceuticals Incorporated (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008019090-A2 | AGONISTS OF THE SPHINGOSINE-1-PHOSPHATE RECEPTOR | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2008-02-14 | — | — | WO | disclosed |
| WO-2007114916-A2 | ARYLBENZYLPIPERIDINE COMPOUNDS | H. LUNDBECK A/S (DK) | 2007-10-11 | — | — | WO | disclosed |