Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1617652 | 0.91 | DRD2 (0.60) | HDAC6DRD2DRD1TAAR1MGLL | |
| SCHEMBL3717612 | 0.85 | HDAC6 (0.66) | HDAC6DRD2DRD1TAAR1MGLL | |
| SCHEMBL31170733 | 0.85 | HDAC6 (0.52) | HDAC6DRD2DRD1TAAR1MGLL | |
| SCHEMBL19932503 | 0.84 | HDAC6 (0.58) | HDAC6DRD2DRD1TAAR1MGLL | |
| SCHEMBL11232474 | 0.82 | DRD2 (0.68) | HDAC6DRD2DRD1TAAR1MGLL | |
| SCHEMBL31674607 | 0.82 | DRD2 (0.68) | HDAC6DRD2DRD1TAAR1MGLL | |
| SCHEMBL28368586 | 0.82 | DRD2 (0.68) | HDAC6DRD2DRD1TAAR1MGLL | |
| SCHEMBL15272646 | 0.81 | MAOA (0.55) | HDAC6MAPK1CYP1A2HDAC3ADRA1A | |
| SCHEMBL2762061 | 0.81 | MAPT (0.55) | HDAC6MAPTHDAC1HDAC2 | |
| SCHEMBL2761735 | 0.81 | MAPT (0.55) | HDAC6MAPTHDAC1HDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |
| EP-1633715-A1 | 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS | Pfizer Limited (GB) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004108676-A1 | 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS | PFIZER LIMITED (GB) | 2004-12-16 | — | — | WO | disclosed |