Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8227040 | 0.81 | TSHR (0.53) | TSHRNPSR1RXFP1KMT2ASLC9A1 | |
| SCHEMBL21104745 | 0.79 | TSHR (0.58) | TSHRNPSR1RXFP1KMT2ASLC9A1 | |
| SCHEMBL736439 | 0.78 | TSHR (0.61) | TSHRNPSR1RXFP1KMT2ASLC9A1 | |
| SCHEMBL29389351 | 0.78 | TSHR (0.61) | TSHRNPSR1RXFP1KMT2ASLC9A1 | |
| SCHEMBL16497703 | 0.78 | TSHR (0.53) | TSHRNPSR1RXFP1KMT2ASLC9A1 | |
| SCHEMBL31483487 | 0.76 | TSHR (0.59) | TSHRNPSR1RXFP1KMT2ASLC9A1 | |
| SCHEMBL17110689 | 0.76 | TSHR (0.59) | TSHRNPSR1RXFP1KMT2ASLC9A1 | |
| SCHEMBL22954104 | 0.76 | PKM (0.47) | MAPK1GRM2 | |
| SCHEMBL30668172 | 0.76 | PKM (0.47) | MAPK1GRM2 | |
| SCHEMBL26231886 | 0.76 | ALDH1A1 (0.36) | NPSR1KMT2AMAPTPOLBMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102272105-B | enantiomerically enriched aryloazol-2-yl cyanoethylamino parasiticidal compounds | 梅瑞尔公司 | 2016-09-14 | — | — | CN | disclosed |