Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | HPGD | P15428 | 5/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.49 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | FABP1 | P07148 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL229311 | 0.83 | CXCR4 (0.68) | ALDH1A1HPGDMEN1KMT2AMAOA | |
| SCHEMBL30487250 | 0.83 | CXCR4 (0.68) | ALDH1A1HPGDMEN1KMT2AMAOA | |
| SCHEMBL3953451 | 0.79 | ALDH1A1 (1.00) | ALDH1A1HPGDMEN1KMT2AKDM4E | |
| SCHEMBL1239720 | 0.79 | CHRM2 (0.56) | ALDH1A1MEN1KMT2AMAOAMAOB | |
| SCHEMBL18949331 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDMEN1KMT2AMAOA | |
| SCHEMBL1244338 | 0.75 | MAOA (0.70) | ALDH1A1HPGDMEN1KMT2AMAOA | |
| SCHEMBL12198925 | 0.75 | MAOA (0.54) | ALDH1A1HPGDMEN1KMT2AMAOA | |
| SCHEMBL3948160 | 0.74 | ALDH1A1 (0.77) | ALDH1A1HPGDMEN1KMT2AKDM4E | |
| SCHEMBL29846220 | 0.74 | MAOA (0.68) | ALDH1A1HPGDMEN1KMT2AMAOA | |
| SCHEMBL23938004 | 0.73 | NPC1 (0.62) | ALDH1A1HPGDMEN1KMT2AMAOA |
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-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |