Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2052 | 0.76 | — | — | |
| SCHEMBL3709316 | 0.71 | — | — | |
| Chloromethane SCHEMBL28108220 | 0.71 | — | — | |
| SCHEMBL2890782 | 0.71 | — | — | |
| Iodide SCHEMBL28709938 | 0.71 | — | — | |
| Propyne SCHEMBL6278091 | 0.69 | — | — | |
| Acetonitrile SCHEMBL6565616 | 0.69 | — | — | |
| Ethane SCHEMBL28415154 | 0.66 | — | — | |
| SCHEMBL30589936 | 0.66 | ALDH1A1 (0.55) | CYP1A2CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL30135412 | 0.66 | ALDH1A1 (0.55) | CYP1A2CYP3A4TDP1ALDH1A1TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119543-B1 | N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR | ORTHO MCNEIL PHARM INC (US) | 2004-12-15 | — | — | EP | disclosed |
| EP-1119543-A1 | N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-08-01 | — | — | EP | disclosed |
| US-6201025-B1 | FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-03-13 | — | — | US | disclosed |
| WO-2000020376-A1 | N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-04-13 | — | — | WO | disclosed |