Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 6/20 | 0.55 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.51 |
| ▸ | FABP4 | P15090 | 6/20 | 0.51 |
| ▸ | FABP5 | Q01469 | 6/20 | 0.51 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10420445 | 0.84 | CASP3 (0.63) | PTPN11S1PR3FABP4FABP5CNR1 | |
| SCHEMBL10899810 | 0.84 | CASP3 (0.63) | PTPN11S1PR3FABP4FABP5CNR1 | |
| SCHEMBL10420777 | 0.84 | CASP3 (0.63) | PTPN11S1PR3FABP4FABP5CNR1 | |
| SCHEMBL8167721 | 0.81 | PTPN11 (0.61) | PTPN11S1PR3PTPN1PTPN6 | |
| SCHEMBL249271 | 0.80 | CNR2 (0.69) | PTPN11S1PR3FABP4FABP5CNR1 | |
| SCHEMBL10539639 | 0.79 | PTPN11 (0.64) | PTPN11S1PR3PTPN1PTPN6 | |
| SCHEMBL4462194 | 0.79 | PTPN11 (0.64) | PTPN11S1PR3PTPN1PTPN6 | |
| SCHEMBL668981 | 0.79 | PTPN11 (0.64) | PTPN11S1PR3PTPN1PTPN6 | |
| Hydrochloric Acid SCHEMBL9038246 | 0.79 | PTPN11 (0.60) | PTPN11S1PR3PTPN1PTPN6 | |
| Hydrochloric Acid SCHEMBL8154036 | 0.79 | PTPN11 (0.60) | PTPN11S1PR3PTPN1PTPN6 |
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-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |