Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.42 |
| ▸ | RELA | Q04206 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774663 | 0.93 | SMN1; SMN2 (0.45) | RAB9ASMN1; SMN2NPC1NFKB1L3MBTL1 | |
| SCHEMBL10282386 | 0.88 | ALDH1A1 (0.44) | RAB9ASMN1; SMN2NPC1MAPK1ALDH1A1 | |
| SCHEMBL8774662 | 0.88 | RAB9A (0.46) | RAB9ASMN1; SMN2NPC1NFKB1L3MBTL1 | |
| SCHEMBL8774683 | 0.81 | RAB9A (0.40) | RAB9ASMN1; SMN2NPC1ALDH1A1NPSR1 | |
| SCHEMBL8774856 | 0.81 | SMN1; SMN2 (0.47) | RAB9ASMN1; SMN2NPC1L3MBTL1MAPK1 | |
| SCHEMBL8774724 | 0.80 | AKR1C2 (0.50) | RAB9ASMN1; SMN2NPC1NFKB1L3MBTL1 | |
| SCHEMBL8272903 | 0.79 | ALDH1A1 (0.44) | L3MBTL1MAPK1ALDH1A1NPSR1MAPT | |
| SCHEMBL8774425 | 0.78 | RAB9A (0.46) | RAB9ASMN1; SMN2NPC1L3MBTL1MAPK1 | |
| SCHEMBL8774499 | 0.78 | TAAR1 (0.39) | RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1 | |
| SCHEMBL10840981 | 0.78 | ALDH1A1 (0.36) | ALDH1A1NPSR1MAPTKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1853587-B1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2011-08-03 | — | — | EP | disclosed |