Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.52 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | VHL | P40337 | 1/20 | 0.39 |
| ▸ | ELOC | Q15369 | 1/20 | 0.39 |
| ▸ | ELOB | Q15370 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22323931 | 0.93 | PRSS1 (0.46) | PRSS1PRSS2PRSS3NOS3NOS1 | |
| SCHEMBL1286664 | 0.79 | KMT2A (0.70) | PRSS1PRSS2PRSS3KMT2AEPHX2 | |
| SCHEMBL1066908 | 0.79 | PRSS1 (0.48) | PRSS1PRSS2PRSS3NOS3NOS1 | |
| SCHEMBL41775 | 0.78 | TSHR (0.67) | PRSS1PRSS2PRSS3NOS3NOS1 | |
| SCHEMBL1552000 | 0.78 | ESR1 (0.38) | TSHRKMT2ALMNASMN1; SMN2HPGD | |
| SCHEMBL2514070 | 0.78 | ALDH1A1 (0.58) | KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL27499995 | 0.76 | LOXL2 (0.56) | NOS3NOS1SMN1; SMN2ADRB2 | |
| SCHEMBL22745581 | 0.75 | PRSS1 (0.45) | PRSS1PRSS2PRSS3NOS3NOS1 | |
| Fluoride SCHEMBL28282617 | 0.75 | TSHR (0.62) | PRSS1PRSS2PRSS3NOS3NOS1 | |
| SCHEMBL18242034 | 0.74 | PLK1 (0.55) | KMT2ACA2LMNAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6770650-B2 | CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA | SYNTEX (U.S.A.) LLC | 2004-08-03 | — | — | US | disclosed |
| US-6323223-B1 | CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. | SYNTEX (U.S.A.) LLC | 2001-11-27 | — | — | US | disclosed |