Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3390800 | 0.81 | CYP2A6 (0.48) | CYP2A6CCR5ALDH1A1KDM4EMEN1 | |
| SCHEMBL16609146 | 0.81 | PTGDR2 (0.40) | ALDH1A1MEN1MAPTKMT2ASLC6A4 | |
| SCHEMBL11713314 | 0.78 | MAPT (0.38) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL31349168 | 0.78 | ALDH1A1 (0.38) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL1055260 | 0.76 | PYCR1 (0.44) | KDM1A | |
| SCHEMBL1823372 | 0.74 | KDM1A (0.46) | CYP2A6CCR5KDM1A | |
| SCHEMBL31717131 | 0.74 | KDM1A (0.46) | CYP2A6CCR5KDM1A | |
| SCHEMBL24970154 | 0.74 | KDM1A (0.42) | CYP2A6CCR5SLC6A4KDM1A | |
| SCHEMBL3985481 | 0.74 | TSHR (0.46) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL23094700 | 0.74 | ALOX15 (0.40) | ALDH1A1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015046405-A1 | ANALGESIC | 東レ株式会社 | 2015-04-02 | — | — | WO | disclosed |
| WO-2015046404-A1 | THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR PULMONARY HYPERTENSION | 東レ株式会社 | 2015-04-02 | — | — | WO | disclosed |