Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8118397 | 0.88 | PTGS2 (0.49) | ALDH1A1NPC1RAB9APLAUELANE | |
| SCHEMBL2406040 | 0.75 | ITGB3 (0.61) | ALDH1A1NPC1RAB9AATMKMT2A | |
| SCHEMBL3248430 | 0.75 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9APLAUELANE | |
| SCHEMBL3248426 | 0.75 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9APLAUELANE | |
| SCHEMBL16468538 | 0.73 | ATM (0.64) | ALDH1A1NPC1RAB9APLAUELANE | |
| SCHEMBL4910906 | 0.72 | RAB9A (0.53) | ALDH1A1NPC1RAB9APLAUELANE | |
| SCHEMBL7971348 | 0.70 | TACR1 (0.83) | ALDH1A1ATMTACR1 | |
| SCHEMBL25754099 | 0.70 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AATMGAA | |
| SCHEMBL11561410 | 0.69 | NPC1 (0.65) | ALDH1A1NPC1RAB9APLAUATM | |
| SCHEMBL16321874 | 0.69 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9APLAUELANE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6172108-B1 | NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS | ADIR ET COMPAGNIE (FR) | 2001-01-09 | — | — | US | disclosed |