Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16394281 | 0.74 | POLB (0.56) | TSHRHPGDSIGMAR1LTA4HMEN1 | |
| SCHEMBL9612077 | 0.74 | TSHR (1.00) | TSHRHPGDMAPTKMT2APOLB | |
| SCHEMBL3936704 | 0.74 | TSHR (1.00) | TSHRHPGDMAPTKMT2APOLB | |
| SCHEMBL88641 | 0.73 | CA2 (0.64) | TSHRHPGDKMT2AHSD17B10FAAH | |
| SCHEMBL6738518 | 0.72 | TSHR (0.96) | TSHRHPGDMAPTKMT2APOLB | |
| Hydrochloric Acid SCHEMBL11574583 | 0.71 | CA2 (0.61) | TSHRHPGDKMT2AHSD17B10FAAH | |
| SCHEMBL28332352 | 0.71 | CA2 (0.61) | TSHRHPGDKMT2AHSD17B10FAAH | |
| SCHEMBL688047 | 0.70 | SIGMAR1 (0.77) | SIGMAR1SLC6A3POLB | |
| SCHEMBL8327 | 0.70 | SIGMAR1 (0.77) | SIGMAR1SLC6A3POLB | |
| SCHEMBL11141692 | 0.70 | SIGMAR1 (0.77) | SIGMAR1SLC6A3POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994013639-A1 | 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-06-23 | — | — | WO | disclosed |