Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9063135 | 1.00 | NPSR1 (0.56) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| Aniline SCHEMBL8722674 | 0.83 | CYP19A1 (0.52) | NPSR1CYP19A1MAOAMAOBMAPT | |
| SCHEMBL4658396 | 0.79 | CYP1A2 (0.59) | MAOAMAOBMAPT | |
| SCHEMBL4658400 | 0.79 | CYP1A2 (0.59) | MAOAMAOBMAPT | |
| SCHEMBL28850027 | 0.79 | UNG (0.44) | NPC1ALDH1A1CA12CA9CA1 | |
| SCHEMBL9477610 | 0.79 | LCK (0.62) | MAOAMAOBLCK | |
| SCHEMBL31200910 | 0.78 | HSD17B3 (0.58) | MAOAMAOBALDH1A1CA12CA9 | |
| SCHEMBL7903214 | 0.77 | CYP19A1 (0.59) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL7903217 | 0.77 | CYP19A1 (0.59) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL2774532 | 0.77 | CYP19A1 (0.86) | NPSR1CYP19A1MAOAMAOBNPC1 |
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-5563136-A | ADMINISTERING FOR GASTROINTESTINAL OR NERVOUS SYSTEM DISORDERS CONNECTED WITH CHOLECYSTOKININ AND GASTRIN | RHONE-POULENC RORER S.A. (FR) | 1996-10-08 | — | — | US | disclosed |