Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20021170 | 0.89 | ACHE (0.51) | ACHEALDH1A1HSD17B10HPGDUSP2 | |
| SCHEMBL20021122 | 0.81 | KDM4E (0.52) | ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL3303958 | 0.81 | KMT2A (0.49) | ALDH1A1HSD17B10HPGDUSP2TSHR | |
| SCHEMBL245545 | 0.81 | ACHE (0.42) | ACHEALDH1A1HSD17B10HPGDUSP2 | |
| SCHEMBL15182623 | 0.80 | ACHE (0.43) | ACHEALDH1A1HSD17B10HPGDUSP2 | |
| SCHEMBL27910428 | 0.80 | ALDH1A1 (0.41) | ACHEALDH1A1HSD17B10HPGDUSP2 | |
| SCHEMBL20020801 | 0.77 | KDM4E (0.46) | SMN1; SMN2KDM4ELMNAKCNH2 | |
| SCHEMBL20020750 | 0.77 | KDM4E (0.41) | ALDH1A1HSD17B10HPGDMAPTMEN1 | |
| SCHEMBL20021157 | 0.77 | KDM4E (0.44) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL20021077 | 0.76 | CNR2 (0.44) | ACHEALDH1A1HSD17B10HPGDMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588455-B1 | 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES INC (US) | 2018-04-04 | — | — | EP | disclosed |
| WO-2012003498-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |