Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5069466 | 0.84 | KMT2A (0.47) | ALDH1A1MAPTL3MBTL1ALOX15CYP2C19 | |
| SCHEMBL252506 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPTL3MBTL1GRIK2ALOX15 | |
| SCHEMBL6845223 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPTL3MBTL1GRIK2ALOX15 | |
| SCHEMBL14661902 | 0.81 | NPC1 (0.40) | ALDH1A1MAPTL3MBTL1ALOX15CYP2C19 | |
| SCHEMBL8508145 | 0.80 | MAPT (0.42) | ALDH1A1MAPTL3MBTL1GRIK2ALOX15 | |
| SCHEMBL27586092 | 0.80 | HDAC2 (0.46) | ALDH1A1MAPTL3MBTL1ALOX15MAPK1 | |
| SCHEMBL2176378 | 0.79 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1CYP1A2CYP2D6MAPK1 | |
| SCHEMBL27566466 | 0.76 | ALDH1A1 (0.38) | ALDH1A1MAPTL3MBTL1ALOX15CYP2C19 | |
| SCHEMBL27456628 | 0.73 | KMT2A (0.48) | ALDH1A1MAPTL3MBTL1GRIK2ALOX15 | |
| SCHEMBL10860742 | 0.72 | CYP1A2 (0.58) | ALOX15CYP2C19CYP1A2CYP2D6SLC1A3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4304630-A1 | SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM | Research Triangle Institute (US) | 2024-01-17 | — | — | EP | disclosed |
| EP-1987034-A1 | SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmceuticals Incorporated (US) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007100670-A1 | SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-07 | — | — | WO | disclosed |
| EP-1401830-A2 | QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS | Warner-Lambert Company LLC (US) | 2004-03-31 | — | — | EP | disclosed |
| EP-1395585-A1 | ANTIBACTERIAL AGENTS | Warner-Lambert Company LLC (US) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002102793-A2 | QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2002-12-27 | — | — | WO | disclosed |
| WO-2002096908-A1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2002-12-05 | — | — | WO | disclosed |