Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 5/20 | 0.62 |
| ▸ | QPCTL | Q9NXS2 | 3/20 | 0.62 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.47 |
| ▸ | FEN1 | P39748 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30799073 | 0.88 | TRPA1 (0.55) | QPCTQPCTLTRPA1CYP1A2CYP3A4 | |
| SCHEMBL627762 | 0.88 | TRPA1 (0.55) | QPCTQPCTLTRPA1CYP1A2CYP3A4 | |
| Benzimidazole SCHEMBL834184 | 0.82 | ESR2 (0.45) | QPCTQPCTLTRPA1CYP1A2CYP3A4 | |
| SCHEMBL28294110 | 0.77 | QPCTL (1.00) | QPCTQPCTLALDH1A1HPGDALOX5AP | |
| SCHEMBL7021611 | 0.75 | RAB9A (0.56) | TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL28292522 | 0.75 | QPCT (0.53) | QPCTQPCTLALDH1A1HPGDKDM4E | |
| SCHEMBL8634290 | 0.75 | QPCT (0.68) | QPCTQPCTLCYP3A4ALDH1A1HPGD | |
| SCHEMBL27824937 | 0.75 | QPCT (0.64) | QPCTQPCTLALDH1A1HPGDALOX5AP | |
| SCHEMBL2462345 | 0.74 | QPCT (0.68) | QPCTQPCTLALDH1A1HPGDKDM4E | |
| SCHEMBL21363857 | 0.73 | ADORA2A (0.60) | QPCTQPCTLCLK4ALOX5APFEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2603079-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | Merck Sharp & Dohme Corp. (US) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | disclosed |
| EP-0574174-B1 | Angiotensin II antagonists | LILLY CO ELI (US) | 2003-08-13 | — | — | EP | disclosed |
| US-5693633-A | Angiotensin II antagonists | ELI LILLY AND COMPANY (US) | 1997-12-02 | — | — | US | disclosed |
| US-5612360-A | AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS | ELI LILLY AND COMPANY (US) | 1997-03-18 | — | — | US | disclosed |
| US-5569768-A | USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY | ELI LILLY AND COMPANY (US) | 1996-10-29 | — | — | US | disclosed |
| US-5556981-A | Angiotensin II antagonist intermediates | ELI LILLY AND COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| EP-0574174-A2 | Angiotensin II antagonists | ELI LILLY AND COMPANY (US) | 1993-12-15 | — | — | EP | disclosed |