Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11076077 | 0.81 | SLC6A4 (0.34) | MDM2SLC6A3SLC6A4SLC6A2CHRM2 | |
| SCHEMBL11075629 | 0.81 | MDM2 (0.42) | MDM2SLC6A3SLC6A4SLC6A2CHRM2 | |
| SCHEMBL11078326 | 0.79 | MDM2 (0.43) | MDM2SLC6A3SLC6A4SLC6A2CHRM2 | |
| SCHEMBL11070520 | 0.77 | MDM2 (0.41) | MDM2SLC6A3SLC6A4SLC6A2CHRM2 | |
| SCHEMBL11076078 | 0.75 | SLC6A4 (0.49) | SLC6A3SLC6A4SLC6A2CHRM2ADRA2A | |
| SCHEMBL11078781 | 0.74 | OPRL1 (0.43) | OPRK1OPRM1OPRL1 | |
| SCHEMBL11073735 | 0.74 | OPRL1 (0.38) | MDM2SLC6A3SLC6A4SLC6A2OPRK1 | |
| SCHEMBL11079210 | 0.74 | SLC6A4 (0.36) | SLC6A3SLC6A4SLC6A2CHRM2ADRA2A | |
| Ethylbenzene SCHEMBL11076131 | 0.74 | OPRL1 (0.45) | SLC6A4AVPR1AOPRM1OPRL1 | |
| Hydrochloric Acid SCHEMBL10548273 | 0.73 | CYP3A4 (0.44) | SLC6A3SLC6A4SLC6A2CHRM2ADRA2A |
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-4447454-A | Analgetic compounds, compositions and process of treatment | THE UPJOHN COMPANY (US) | 1984-05-08 | — | — | US | disclosed |
| US-4113866-A | ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT | THE UPJOHN COMPANY (US) | 1978-09-12 | — | — | US | disclosed |