Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.50 |
| ▸ | NOS3 | P29474 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1033919 | 0.84 | POLB (0.48) | NOS1NOS3BCHEKDM4EALDH1A1 | |
| SCHEMBL10809172 | 0.83 | BCHE (0.67) | BCHEKDM4EALDH1A1 | |
| SCHEMBL17790188 | 0.82 | KDM4E (0.51) | NOS1NOS3BCHEKDM4EALDH1A1 | |
| SCHEMBL1240006 | 0.82 | ALDH1A1 (0.48) | NOS1NOS3BCHEALDH1A1 | |
| SCHEMBL14218622 | 0.81 | KDM4E (0.57) | NOS1NOS3NOS2TAAR1KDM4E | |
| SCHEMBL29508453 | 0.81 | ROCK2 (0.55) | KDM4EALDH1A1 | |
| SCHEMBL21345579 | 0.81 | ROCK2 (0.55) | KDM4EALDH1A1 | |
| SCHEMBL10995424 | 0.81 | MAOB (0.49) | BCHEKDM4EALDH1A1CHRM2SCN8A | |
| SCHEMBL10810390 | 0.81 | KMT2A (0.55) | BCHEKDM4EALDH1A1CHRM2SCN8A | |
| SCHEMBL10994169 | 0.80 | RAB9A (0.58) | BCHEKDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021429-A | Histamine h2-antagonists; antisecretory-antiallergen agent; skin disorders and peptic ulcers | ALLEN & HANSBURYS LIMITED (GB) | 1991-06-04 | — | — | US | disclosed |
| US-4496567-A | HSITAMINE H2 ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-01-29 | — | — | US | disclosed |
| EP-0013071-B1 | PYRIMIDINONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-11-16 | — | — | EP | disclosed |
| EP-0013071-A1 | Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-07-09 | — | — | EP | disclosed |
| WO-1980000966-A1 | NEW HISTAMINE H2-ANTAGONISTS | SMITH KLINE FRENCH LAB (GB) | 1980-05-15 | — | — | WO | disclosed |