Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16392261 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1CASP1CYP3A4ADRB2 | |
| Hydrochloric Acid SCHEMBL16370334 | 0.98 | ALDH1A1 (0.48) | ALDH1A1TDP1CASP1CYP3A4ADRB2 | |
| Hydrochloric Acid SCHEMBL16370328 | 0.98 | ALDH1A1 (0.48) | ALDH1A1TDP1CASP1CYP3A4ADRB2 | |
| Hydrochloric Acid SCHEMBL16370133 | 0.98 | ALDH1A1 (0.48) | ALDH1A1TDP1CASP1CYP3A4ADRB2 | |
| SCHEMBL512377 | 0.84 | ALDH1A1 (0.59) | ALDH1A1TDP1CASP1CYP3A4GAA | |
| SCHEMBL11804318 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1CASP1CYP3A4GAA | |
| Hydrochloric Acid SCHEMBL11333307 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TDP1CASP1CYP3A4GAA | |
| SCHEMBL13128971 | 0.81 | ADRB2 (0.46) | ALDH1A1TDP1ADRB2MAPTHIF1A | |
| SCHEMBL13877347 | 0.81 | ADRB2 (0.46) | ALDH1A1TDP1ADRB2MAPTHIF1A | |
| SCHEMBL3650358 | 0.81 | ADRB2 (0.46) | ALDH1A1TDP1ADRB2MAPTHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015004481-A1 | IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) | ASTEX THERAPEUTICS LIMITED (GB) | 2015-01-15 | — | — | WO | disclosed |
| WO-2015004481-A1 | IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) | ASTEX THERAPEUTICS LIMITED (GB) | 2015-01-15 | — | — | WO | disclosed |
| WO-2009012375-A2 | SQUARATE KINASE INHIBITORS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |