Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.77 |
| ▸ | MAPT | P10636 | 7/20 | 0.77 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | TACR2 | P21452 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.56 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2650257 | 0.86 | ALDH1A1 (0.59) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL27608521 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL2879297 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL413085 | 0.84 | TACR2 (0.78) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL30141008 | 0.82 | PDCD1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL6444060 | 0.82 | PDCD1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL4839769 | 0.82 | ALDH1A1 (0.58) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL12431887 | 0.81 | MAPT (0.53) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL7433658 | 0.81 | MAPT (0.59) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL2663720 | 0.80 | GCGR (0.55) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0006458-B1 | N1-BENZOYL-N2-PHENYL-1,3-DIAMINOPROPANE-2-OLS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Kali-Chemie Pharma GmbH (DE) | 1981-10-07 | — | — | EP | claimed |
| US-4271193-A | PROPHYLAXIS AND TREATMENT OF GASTRITIS | KALI-CHEMIE PHARMA GMBH (DE) | 1981-06-02 | — | — | US | claimed |