Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | ERCC5 | P28715 | 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 | |
|---|---|---|---|---|
| SCHEMBL28366278 | 0.79 | CYP1A2 (0.51) | L3MBTL1LMNAPOLBRAB9AATM | |
| SCHEMBL17029101 | 0.78 | SMN1; SMN2 (0.45) | SLC6A3L3MBTL1POLBRAB9ATDP1 | |
| SCHEMBL9051664 | 0.76 | — | — | |
| SCHEMBL28056335 | 0.75 | BTK (0.31) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2553787 | 0.75 | — | — | |
| SCHEMBL15579771 | 0.75 | — | — | |
| SCHEMBL19619157 | 0.75 | — | — | |
| SCHEMBL13141021 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL29207984 | 0.75 | MEN1 (0.40) | SLC6A3L3MBTL1HCAR2LMNAPOLB | |
| SCHEMBL5542077 | 0.74 | SLC6A3 (0.39) | SLC6A3L3MBTL1HCAR2LMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2590944-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004722-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-01-12 | — | — | WO | disclosed |