Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11174897 | 0.88 | ESR1 (0.39) | CYP1A2CYP3A4KDM4EESR1ADRB2 | |
| SCHEMBL11266962 | 0.86 | ESR1 (0.39) | CYP1A2CYP3A4KDM4EESR1ADRB2 | |
| SCHEMBL11159050 | 0.84 | ESR1 (0.42) | CYP1A2CYP3A4LMNAKDM4ENPC1 | |
| SCHEMBL11156530 | 0.84 | ESR1 (0.42) | CYP1A2CYP3A4LMNAKDM4ENPC1 | |
| SCHEMBL11621712 | 0.84 | CA1 (0.43) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11162893 | 0.83 | ESR1 (0.41) | LMNAKDM4ENPC1ESR1ADRB2 | |
| SCHEMBL11158234 | 0.83 | ESR1 (0.41) | KDM4ENPC1ESR1ADRB2ADRB1 | |
| SCHEMBL11619642 | 0.82 | NCOA1 (0.40) | CYP1A2CYP3A4LMNAADRB2SMN1; SMN2 | |
| SCHEMBL11621429 | 0.82 | TTR (0.40) | CYP1A2CYP3A4LMNAKDM4EADRB2 | |
| SCHEMBL11144491 | 0.80 | CA12 (0.56) | CA1CA2CA12CA7CA9 |
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-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-4006246-A | ANTIULCER, SECRETOLYTIC, ANTITUSSIVE, STIMULANT | BOEHRINGER INGELHEIM GMBH (DT) | 1977-02-01 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |