Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12234483 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL10419206 | 0.93 | ALDH1A1 (0.36) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL9683262 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL27693488 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL28291551 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL28919959 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL9683260 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL20414337 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL7180326 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MAPTHSP90AA1KMT2AHIF1A | |
| SCHEMBL2845203 | 0.69 | AKR1C1 (0.45) | ALDH1A1MAPTKMT2ARECQLRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003084931-A1 | 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2003-10-16 | — | — | WO | disclosed |