Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | USP2 | O75604 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3391471 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL3387052 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL499996 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL3392080 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL921220 | 0.98 | ALDH1A1 (0.63) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL270348 | 0.91 | — | — | |
| SCHEMBL7093157 | 0.91 | ALDH1A1 (0.70) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL7094868 | 0.89 | ALDH1A1 (0.67) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL11060991 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TDP1USP2HPGDCYP3A4 | |
| SCHEMBL270296 | 0.81 | — | — |
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-2010043633-A1 | 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES | PALAU PHARMA, S. A. (ES) | 2010-04-22 | — | — | WO | disclosed |