Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 6/20 | 0.36 |
| ▸ | FABP3 | P05413 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL18364987 | 0.83 | CLK1 (0.35) | CLK1NPC1RAB9AFABP4FABP3 | |
| SCHEMBL20344844 | 0.83 | CLK1 (0.35) | CLK1NPC1RAB9AFABP4FABP3 | |
| SCHEMBL20344786 | 0.81 | P2RX7 (0.33) | P2RX3MAPTMAPK1 | |
| SCHEMBL17039306 | 0.81 | FABP4 (0.35) | CLK1NPC1RAB9AFABP4FABP3 | |
| SCHEMBL17039259 | 0.81 | NR1I2 (0.39) | KDM4EKMT2AL3MBTL1TDP1HPGD | |
| SCHEMBL17029065 | 0.79 | P2RX3 (0.36) | FABP4FABP3P2RX3 | |
| SCHEMBL17039251 | 0.79 | P2RX3 (0.36) | FABP4FABP3P2RX3 | |
| SCHEMBL17029066 | 0.79 | P2RX3 (0.36) | FABP4FABP3P2RX3 | |
| SCHEMBL17029018 | 0.79 | NR1I2 (0.40) | FABP4FABP3 | |
| SCHEMBL17039278 | 0.79 | FABP4 (0.41) | FABP4FABP3SMN1; SMN2 |
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-2015126765-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |