Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TST | Q16762 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9478216 | 1.00 | ESR1 (0.46) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL7680287 | 0.93 | CA2 (0.39) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL193829 | 0.85 | LPL (0.35) | LPLLIPGMGLL | |
| SCHEMBL9850112 | 0.85 | ALDH1A1 (0.47) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6057034 | 0.85 | ALDH1A1 (0.44) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL358682 | 0.81 | CYP4A11 (0.45) | KDM4EPPARA | |
| SCHEMBL27711023 | 0.81 | CALM1 (0.33) | — | |
| SCHEMBL221126 | 0.77 | PTGS2 (0.39) | ALDH1A1LMNATP53PTGS2LPL | |
| SCHEMBL21268270 | 0.77 | ALDH1A1 (0.39) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL192374 | 0.77 | PTGS2 (0.50) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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-6436961-B1 | SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES | PFIZER INC | 2002-08-20 | — | — | US | claimed |
| US-6436961-B1 | SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES | PFIZER INC | 2002-08-20 | — | — | US | disclosed |