Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ANPEP | P15144 | 2/20 | 0.39 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21905669 | 0.86 | ANPEP (0.42) | TSHRANPEP | |
| SCHEMBL339967 | 0.81 | — | — | |
| SCHEMBL13354516 | 0.80 | PKM (0.34) | ALDH1A1PKMEPHX1 | |
| Water SCHEMBL28099768 | 0.79 | TSHR (0.46) | TSHRALDH1A1ANPEPERAP2PKM | |
| SCHEMBL11096563 | 0.79 | TSHR (0.46) | TSHRALDH1A1ANPEPERAP2PKM | |
| Hydrochloric Acid SCHEMBL11090075 | 0.79 | TSHR (0.46) | TSHRALDH1A1ANPEPERAP2PKM | |
| Hydrochloric Acid SCHEMBL11410943 | 0.78 | TSHR (0.41) | TSHRALDH1A1ANPEPERAP2PKM | |
| SCHEMBL4327881 | 0.78 | — | — | |
| SCHEMBL20592385 | 0.78 | TSHR (0.50) | TSHRALDH1A1ANPEPERAP2PKM | |
| Isopropyl Alcohol SCHEMBL29165543 | 0.78 | TSHR (0.58) | TSHRALDH1A1ANPEPERAP2ADH1B |
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-9964552-B2 | Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2018-05-08 | — | — | US | disclosed |