Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3138440 | 0.79 | ITGB3 (0.57) | ITGB3ITGAVITGB6 | |
| SCHEMBL3140159 | 0.72 | SMN1; SMN2 (0.38) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL5823603 | 0.71 | FGFR4 (0.36) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28311247 | 0.70 | FGFR4 (0.35) | ITGB3ITGAVMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL20140313 | 0.69 | NOTUM (0.40) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL20141262 | 0.69 | FGFR4 (0.39) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL21328960 | 0.69 | ITGAV (0.37) | ITGB3ITGAVITGB6MEN1KMT2A | |
| SCHEMBL28337910 | 0.68 | ITGAV (0.40) | ITGB3ITGAVITGB6CYP3A4 | |
| SCHEMBL3095932 | 0.68 | FGFR4 (0.40) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL28337154 | 0.68 | ITGAV (0.36) | ITGB3ITGAVITGB6 |
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-2010057101-A2 | COMPOUNDS USEFUL AS HIV BLOCKERS | SCHERING CORPORATION (US) | 2010-05-20 | — | — | WO | disclosed |