Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.35 |
| ▸ | TSHR | P16473 | 10/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 13/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL51685 | 1.00 | CYP3A4 (0.35) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL51684 | 1.00 | CYP3A4 (0.35) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL87860 | 0.77 | NPC1 (0.40) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL13691437 | 0.74 | CTSS (0.35) | TSHRCYP1A2CTSLCTSBCTSS | |
| SCHEMBL62654 | 0.74 | CTSS (0.35) | TSHRCYP1A2CTSLCTSBCTSS | |
| SCHEMBL63766 | 0.74 | CTSS (0.35) | TSHRCYP1A2CTSLCTSBCTSS | |
| SCHEMBL13691697 | 0.70 | CTSS (0.37) | CYP3A4TSHRALDH1A1L3MBTL1CTSL | |
| SCHEMBL63524 | 0.70 | CTSS (0.37) | CYP3A4TSHRALDH1A1L3MBTL1CTSL | |
| SCHEMBL13657354 | 0.68 | RORC (0.37) | CYP3A4TSHRCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL13657353 | 0.68 | RORC (0.38) | CYP3A4TSHRCYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |