Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSH | P09668 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9336847 | 0.80 | GPR35 (0.54) | GPR35ALDH1A1TDP1ERN1HSD17B10 | |
| SCHEMBL1173852 | 0.80 | TDP1 (0.54) | GPR35ALDH1A1TDP1HSD17B10CYP3A4 | |
| SCHEMBL2289877 | 0.78 | TSHR (0.50) | GPR35ALDH1A1TDP1HSD17B10CYP3A4 | |
| SCHEMBL6676890 | 0.78 | GPR35 (0.52) | GPR35ALDH1A1TDP1ERN1HSD17B10 | |
| SCHEMBL28123479 | 0.77 | TDP1 (0.47) | GPR35ALDH1A1TDP1HSD17B10CYP3A4 | |
| SCHEMBL8922502 | 0.77 | CYP1A2 (0.43) | GPR35ALDH1A1TDP1HSD17B10CYP3A4 | |
| SCHEMBL13836016 | 0.74 | TDP1 (0.52) | GPR35ALDH1A1TDP1HSD17B10CYP3A4 | |
| SCHEMBL9358697 | 0.74 | MAPT (0.47) | GPR35ALDH1A1TDP1HSD17B10CTSB | |
| SCHEMBL8831878 | 0.73 | AR (0.43) | ALDH1A1TDP1HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL8374 | 0.72 | TDP1 (0.54) | GPR35ALDH1A1TDP1HSD17B10CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144393-A3 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR | AstraZeneca AB (SE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1144393-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR | AstraZeneca AB (SE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000005224-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |