Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1930129 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL3168388 | 0.84 | RELA (0.60) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL7777160 | 0.84 | RELA (0.60) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL5134572 | 0.83 | MAOA (0.51) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL5134571 | 0.83 | MAOA (0.51) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL5507847 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL8749818 | 0.82 | CALM1 (0.58) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL5253949 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL5360664 | 0.82 | NFE2L2 (0.61) | ALDH1A1TP53CYP3A4TSHRALOX15 | |
| SCHEMBL5580077 | 0.81 | LTA4H (0.57) | ALDH1A1TP53CYP3A4TSHRALOX15 |
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-1476156-A2 | PIPERIDINE OR PYRROLIDINE DERIVATIVES HAVING AN AMINOACYL SUBSTITUTED SIDE CHAIN AS MELANOCORTIN-4 RECEPTOR AGONISTS | CHIRON CORPORATION (US) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003066587-A2 | PIPERIDINE OR PYRROLIDINE DERIVATIVES HAVING AN AMINOACYL SUBSTITUTED SIDE CHAIN AS MELANCORTIN-4 RECEPTOR AGONISTS | CHIRON CORPORATION (US) | 2003-08-14 | — | — | WO | disclosed |