Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11622585 | 0.84 | PRKCI (0.39) | NOS3NOS1NOS2CYP2D6POLQ | |
| SCHEMBL11620870 | 0.80 | SLC6A4 (0.43) | CYP3A4CYP2D6SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11619200 | 0.80 | ABCB11 (0.53) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL11618978 | 0.75 | SLC6A2 (0.43) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL10700941 | 0.73 | ADRB2 (0.37) | POLQADRB2ADRB1SIGMAR1 | |
| SCHEMBL11620474 | 0.73 | ADRB2 (0.38) | KCNH2ADRB2ADRB1 | |
| SCHEMBL11625501 | 0.72 | SLC6A4 (0.43) | CYP3A4CYP2D6SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11138187 | 0.71 | RAPGEF4 (0.38) | CYP3A4ADRB2ADRB1ALDH1A1POLB | |
| SCHEMBL7520401 | 0.70 | CYP3A4 (0.36) | CYP3A4CYP2D6ADRB2ADRB1ALDH1A1 | |
| SCHEMBL3240959 | 0.70 | ADRB2 (0.44) | CYP3A4ADRB2ADRB1ALDH1A1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4101671-A | ANTIULCEROGENICS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-18 | — | — | US | disclosed |
| US-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |