Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444921 | 0.88 | LMNA (0.61) | ALDH1A1KDM4ETAAR1HPGDATM | |
| SCHEMBL6377354 | 0.87 | MEN1 (0.66) | ALDH1A1LMNAMAPTKMT2ACYP1A2 | |
| SCHEMBL6381209 | 0.87 | CA1 (0.61) | LMNAKMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17149982 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4ETAAR1HPGDATM | |
| SCHEMBL9186971 | 0.85 | MTNR1A (0.63) | ALDH1A1KDM4ETAAR1HPGDATM | |
| SCHEMBL149155 | 0.83 | KMT2A (0.55) | ALDH1A1TAAR1LMNAMAPTKMT2A | |
| SCHEMBL19693018 | 0.82 | KMT2A (0.54) | ALDH1A1KDM4ETAAR1HPGDKMT2A | |
| SCHEMBL19692992 | 0.82 | KMT2A (0.54) | ALDH1A1KDM4ETAAR1HPGDATM | |
| SCHEMBL195014 | 0.82 | TAAR1 (0.54) | ALDH1A1KDM4ETAAR1ATMHSD17B10 | |
| SCHEMBL153172 | 0.82 | TAAR1 (0.54) | ALDH1A1KDM4ETAAR1ATMHSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0957092-A1 | Ring-closed dihydropyridines and their use in the preparation of pharmaceutical compositions | Boehringer Ingelheim Pharma KG (DE) | 1999-11-17 | — | — | EP | disclosed |
| US-5861412-A | CARDIOPROTECTIVE AGENTS, CEREBROPROTECTIVE AGENTS, AGENTS FOR TREATING CHRONIC INFLAMMATORY PROCESSES, ANTIPROLIFERATIVE AGENTS AND AS AGENTS FOR TREATING ULCERATIVE COLITIS AND CROHN'S DISEASE | BOEHRINGER INGELHEIM KG (DE) | 1999-01-19 | — | — | US | disclosed |
| US-5674878-A | ANTIPROLIFERATIVE,-TUMOR AND -CARCINOGENIC AGENTS; ULCERATIVE COLITIS; CROHN*S DISEASE | BOEHRINGER INGELHEIM KG (DE) | 1997-10-07 | — | — | US | disclosed |
| US-5643919-A | TREATMENT OF CROHN*S DISEASE, ULCERATIVE COLITIS | BOEHRINGER INGELHEIM KG (DE) | 1997-07-01 | — | — | US | disclosed |
| CN-1082535-A | Condense dihydropyridine and the application in the medicine preparation thereof | BOEHRINGER INGELHEIM KG (DE) | 1994-02-23 | — | — | CN | disclosed |
| WO-1994000435-A1 | RING-CLOSED DIHYDROPYRIDINES AND THEIR USE IN THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM KG (DE) | 1994-01-06 | — | — | WO | disclosed |