Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12869835 | 0.81 | MEN1 (0.41) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL24006637 | 0.81 | MEN1 (0.41) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL16629395 | 0.81 | MEN1 (0.41) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL8032908 | 0.79 | CES2 (0.37) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL29346005 | 0.76 | HTR2A (0.36) | DPP4DPP8DPP9DPP7 | |
| SCHEMBL12493339 | 0.76 | KCNH2 (0.39) | POLBMEN1KMT2ANPC1RAB9A | |
| SCHEMBL800711 | 0.76 | HRH4 (0.40) | POLBPTGS1ACHE | |
| SCHEMBL10069427 | 0.76 | ACHE (0.36) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL8295998 | 0.75 | CYP3A4 (0.48) | MEN1KMT2AALDH1A1 | |
| SCHEMBL20365474 | 0.75 | USP30 (0.35) | MEN1KMT2AALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588455-B1 | 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES INC (US) | 2018-04-04 | — | — | EP | disclosed |