Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.34 |
| ▸ | RELA | Q04206 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3340521 | 0.94 | NPC1 (0.41) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL3341573 | 0.88 | NPC1 (0.41) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL3342516 | 0.82 | NPC1 (0.42) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL3338529 | 0.82 | NPC1 (0.42) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL13326585 | 0.80 | NPC1 (0.44) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL3340743 | 0.80 | NPC1 (0.44) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL3342134 | 0.78 | NPC1 (0.36) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL3340560 | 0.76 | SMN1; SMN2 (0.48) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL3339900 | 0.76 | NPC1 (0.46) | S1PR1S1PR5S1PR3NPC1NFKB1 | |
| SCHEMBL2498884 | 0.76 | S1PR1 (0.54) | S1PR1S1PR5S1PR3NPC1NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010065760-A1 | IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION | EXELIXIS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |