Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22739910 | 0.96 | TSHR (0.39) | ALDH1A1TSHRCYP1A2HTR2AHRH1 | |
| SCHEMBL182026 | 0.96 | TSHR (0.39) | ALDH1A1TSHRCYP1A2HTR2AHRH1 | |
| SCHEMBL3826312 | 0.96 | TSHR (0.39) | ALDH1A1TSHRCYP1A2HTR2AHRH1 | |
| SCHEMBL3928045 | 0.93 | TSHR (0.38) | ALDH1A1TSHRHTR2AHRH1DNM1 | |
| SCHEMBL9640925 | 0.93 | CYP1A2 (0.36) | TSHRCYP1A2MAPK1CA12CA1 | |
| SCHEMBL23698337 | 0.91 | TSHR (0.39) | ALDH1A1TSHRCYP1A2HTR2AHRH1 | |
| SCHEMBL15177 | 0.91 | TSHR (0.39) | ALDH1A1TSHRCYP1A2HTR2AHRH1 | |
| SCHEMBL3923177 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TSHRHTR2AHRH1DNM1 | |
| SCHEMBL3934551 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TSHRHTR2AHRH1DNM1 | |
| SCHEMBL436610 | 0.86 | KDM4E (0.36) | ALDH1A1TSHRKDM4E |
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-20170355806-A1 | AMINE-IMINO DIALCOHOL NEUTRALIZING AGENTS FOR LOW VOLATILE COMPOUND AQUEOUS ORGANIC COATING COMPOSITIONS AND METHODS FOR USING SAME | RHODIA OPERATIONS (FR) | 2017-12-14 | — | — | US | disclosed |