Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4544335 | 0.82 | PKM (0.43) | PKMNPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL14726457 | 0.79 | HDAC3 (0.32) | MAPT | |
| SCHEMBL6968533 | 0.78 | PKM (0.47) | PKMNPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL14972833 | 0.78 | MAPT (0.51) | NPC1RAB9ASMN1; SMN2NPSR1MEN1 | |
| SCHEMBL29099352 | 0.77 | PKM (0.43) | PKMNPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL791669 | 0.76 | — | — | |
| SCHEMBL28065245 | 0.75 | ALDH1A1 (0.33) | NPC1RAB9ASMN1; SMN2LMNATDP1 | |
| SCHEMBL403275 | 0.75 | — | — | |
| SCHEMBL17635760 | 0.75 | — | — | |
| SCHEMBL2667493 | 0.75 | — | — |
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 |