Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL24890641 | 0.81 | CRHBP (0.38) | ALDH1A1TDP1CRHBPCRHR2HSD17B10 | |
| SCHEMBL12404328 | 0.78 | CRHBP (0.43) | ALDH1A1TDP1CRHBPCRHR2CYP1A2 | |
| SCHEMBL28935594 | 0.77 | HSD17B10 (0.40) | ALDH1A1TDP1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL29447999 | 0.77 | HSD17B10 (0.40) | ALDH1A1TDP1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL27569815 | 0.77 | CYP1A2 (0.43) | ALDH1A1TDP1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL1041822 | 0.75 | CRHBP (0.44) | ALDH1A1TDP1CRHBPCRHR2CYP1A2 | |
| Hydrochloric Acid SCHEMBL11013920 | 0.74 | CRHBP (0.43) | ALDH1A1TDP1CRHBPCRHR2CYP1A2 | |
| SCHEMBL894795 | 0.74 | CRHBP (0.46) | ALDH1A1CRHBPCRHR2CYP1A2CYP3A4 | |
| SCHEMBL2383983 | 0.74 | CRHBP (0.43) | ALDH1A1TDP1CRHBPCRHR2CYP1A2 | |
| SCHEMBL2384460 | 0.74 | CRHBP (0.43) | ALDH1A1CRHBPCRHR2CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1918124-A | New pyridin-2-one compounds useful as inhibitors of thrombin | ASTRAZENECA AB (SE) | 2007-02-21 | — | — | CN | disclosed |
| CN-1777582-A | Substituted indoline and indole derivatives | LUNDBECK & CO AS H (DK) | 2006-05-24 | — | — | CN | disclosed |
| CN-1370158-A | Fatty acid synthase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2002-09-18 | — | — | CN | disclosed |
| CN-1070835-C | Method for preparation of protocatechuic aldehyde | UBE INDUSTRIES (JP) | 2001-09-12 | — | — | CN | disclosed |
| CN-1161954-A | Method for preparation of protocatechuic aldehyde | UBE INDUSTRIES (JP) | 1997-10-15 | — | — | CN | disclosed |