Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597611 | 0.78 | TSHR (0.56) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL5597965 | 0.77 | TSHR (0.40) | ALDH1A1CA2TSHRTP53HTT | |
| SCHEMBL913893 | 0.77 | ALDH1A1 (0.61) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL5597715 | 0.77 | ALDH1A1 (0.62) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL8455288 | 0.76 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL5597642 | 0.76 | TSHR (0.55) | ALDH1A1CYP3A4TSHRMAPK1TP53 | |
| SCHEMBL7909412 | 0.76 | ALDH1A1 (0.63) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL1007039 | 0.76 | ALDH1A1 (0.63) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL8021123 | 0.76 | ALDH1A1 (0.63) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL9350600 | 0.76 | ALDH1A1 (0.63) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 |
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-5856560-A | REACTING ACYL CYANIDE BENZENE COMPOUND WITH AN ALCOHOL; THEN AN HYDROXYLAMINE; METHYLATION | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-05 | — | — | US | disclosed |