Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30945860 | 0.87 | ALDH1A1 (0.61) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL595122 | 0.84 | CA12 (0.53) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL2932638 | 0.83 | CA12 (0.58) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL23610315 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL1038338 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL29234167 | 0.80 | APP (0.50) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL27337997 | 0.80 | ALDH1A1 (0.49) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL5982192 | 0.79 | MEN1 (0.54) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL2936645 | 0.79 | CA12 (0.55) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL17832854 | 0.79 | CHRM2 (0.57) | ALDH1A1TSHRMAPK1CYP3A4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9067928-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2015-06-30 | — | — | US | disclosed |