Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27928126 | 0.88 | NPC1 (0.42) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL27910442 | 0.87 | MCHR1 (0.38) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL28804730 | 0.87 | NPC1 (0.41) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL242742 | 0.86 | ALDH1A1 (0.42) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL242743 | 0.86 | ALDH1A1 (0.42) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL244968 | 0.84 | NPC1 (0.41) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL27928091 | 0.83 | GCGR (0.37) | POLB | |
| SCHEMBL27928070 | 0.82 | GCGR (0.36) | POLB | |
| SCHEMBL244013 | 0.80 | GCGR (0.34) | ALDH1A1KDM4EHPGD | |
| SCHEMBL27910429 | 0.80 | KCNH2 (0.35) | NPC1RAB9AKMT2AMEN1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103209963-A | 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds | GILEAD SCIENCES INC | 2013-07-17 | — | — | CN | disclosed |
| EP-2588455-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003498-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |