Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ADH1B | P00325 | 2/20 | 0.38 |
| ▸ | ADH1C | P00326 | 2/20 | 0.38 |
| ▸ | ADH1A | P07327 | 2/20 | 0.38 |
| ▸ | ADH7 | P40394 | 2/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11750018 | 0.91 | TSHR (0.56) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL10045197 | 0.91 | TSHR (0.56) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL10045265 | 0.91 | TSHR (0.42) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL10045248 | 0.90 | TSHR (0.44) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL7775148 | 0.87 | TSHR (0.39) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL24075866 | 0.87 | TDP1 (0.46) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL10045149 | 0.86 | CYP2C19 (0.42) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL10045198 | 0.86 | TSHR (0.50) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Hydrochloric Acid SCHEMBL22575458 | 0.85 | TSHR (0.38) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL28726709 | 0.85 | ADRB2 (0.42) | TSHRALDH1A1ADH1BADH1CADH1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0590419-A1 | Process for preparing unsaturated amines | BASF Aktiengesellschaft (DE) | 1994-04-06 | — | — | EP | disclosed |