Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11620053 | 0.91 | ALDH1A1 (0.39) | ALDH1A1KMT2AMEN1HPGDPTPRB | |
| Hydrochloric Acid SCHEMBL11622252 | 0.89 | ALDH1A1 (0.39) | ALDH1A1KMT2AMEN1HPGDPTPRB | |
| SCHEMBL11619423 | 0.87 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1HPGDPTPRB | |
| SCHEMBL11619408 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1HPGDPTPRB | |
| SCHEMBL11619402 | 0.83 | ALDH1A1 (0.44) | ALDH1A1KMT2AMEN1HPGDPTPRB | |
| SCHEMBL11620129 | 0.82 | MEN1 (0.48) | ALDH1A1KMT2AMEN1KDM4ETAS1R3 | |
| SCHEMBL11616070 | 0.81 | CYP2D6 (0.52) | ALDH1A1KMT2AMEN1KDM4ECYP1A2 | |
| SCHEMBL1601877 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1HPGDPTPRB | |
| SCHEMBL11617119 | 0.80 | CYP2D6 (0.40) | ALDH1A1KMT2AMEN1HPGDPTPRB | |
| SCHEMBL11620226 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1HPGDPTPRB |
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 |