Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL11621429 | 0.88 | TTR (0.40) | MEN1KMT2AALDH1A1TSHRHTT | |
| SCHEMBL11619336 | 0.82 | CA1 (0.41) | SMN1; SMN2ADRB2LMNACYP1A2CYP3A4 | |
| SCHEMBL11174897 | 0.80 | ESR1 (0.39) | ALDH1A1ADRB2CYP1A2CYP3A4 | |
| SCHEMBL11266962 | 0.79 | ESR1 (0.39) | ADRB2CYP1A2CYP3A4 | |
| SCHEMBL11156530 | 0.78 | ESR1 (0.42) | ALDH1A1TSHRADRB2LMNACYP1A2 | |
| SCHEMBL11159050 | 0.78 | ESR1 (0.42) | ALDH1A1TSHRADRB2LMNACYP1A2 | |
| SCHEMBL11158234 | 0.77 | ESR1 (0.41) | ALDH1A1ADRB2 | |
| SCHEMBL11162893 | 0.77 | ESR1 (0.41) | ALDH1A1ADRB2LMNA | |
| SCHEMBL11622494 | 0.76 | SLC6A4 (0.41) | MEN1KMT2AALDH1A1SMN1; SMN2ADRB2 | |
| SCHEMBL11619782 | 0.72 | ADRB2 (0.42) | MEN1KMT2ATSHRHTTADRB2 |
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 |