Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.49 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | TACR2 | P21452 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5544085 | 0.94 | PLK1 (0.47) | S1PR1S1PR3S1PR2ALDH1A1HSD17B10 | |
| SCHEMBL5535542 | 0.79 | SMN1; SMN2 (0.51) | S1PR1S1PR3S1PR2ALDH1A1KDM4E | |
| SCHEMBL4633460 | 0.78 | LMNA (0.47) | ALDH1A1LMNATP53HSD17B10EGFR | |
| SCHEMBL2089165 | 0.78 | THRA (0.54) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10568240 | 0.77 | ESR1 (0.73) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL181089 | 0.77 | ESR1 (0.73) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL18092321 | 0.76 | THRA (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL2092762 | 0.76 | THRA (0.56) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL13528230 | 0.76 | S1PR1 (0.57) | S1PR1S1PR3S1PR2ALDH1A1ESR1 | |
| SCHEMBL23849704 | 0.75 | ESR1 (0.77) | S1PR1S1PR3ALDH1A1ESR1ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1470102-A1 | SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) | Applied Research Systems ARS Holding N.V. (AN) | 2004-10-27 | — | — | EP | claimed |
| WO-2003064376-A1 | SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2003-08-07 | — | — | WO | claimed |