Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PSD | A5PKW4 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL245429 | 0.87 | PSIP1 (0.45) | MAPTMEN1KMT2AMAPK1PSD | |
| SCHEMBL3312316 | 0.86 | DHODH (0.33) | MAPTKDM4ELMNADHODHCYP2C9 | |
| SCHEMBL3301651 | 0.84 | CYP3A4 (0.36) | KMT2APOLBKDM4EDHODHCYP3A4 | |
| SCHEMBL27928076 | 0.84 | MEN1 (0.41) | MAPTMEN1KMT2AMAPK1PSD | |
| SCHEMBL15182573 | 0.83 | PSD (0.40) | MAPTMEN1KMT2AMAPK1PSD | |
| SCHEMBL10284000 | 0.83 | KMT2A (0.35) | MEN1KMT2AKDM4ENPC1DHODH | |
| SCHEMBL3295271 | 0.81 | CYP3A4 (0.35) | MAPTMEN1KMT2AMAPK1PSD | |
| SCHEMBL10283998 | 0.80 | EGLN1 (0.35) | MAPTKMT2APOLBKDM4ELMNA | |
| SCHEMBL3296191 | 0.80 | GAA (0.35) | MEN1KMT2AKDM4EDHODHGAA | |
| SCHEMBL10284001 | 0.79 | PLA2G2A (0.35) | MAPTKMT2AKDM4ELMNADHODH |
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-2012003498-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |