Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936883 | 0.83 | TACR1 (0.60) | TACR1KCNH2MLNRABCB11ADRB1 | |
| SCHEMBL8936826 | 0.82 | TACR1 (0.61) | TACR1KCNH2 | |
| SCHEMBL8936912 | 0.80 | TACR1 (0.43) | TACR1KCNH2MLNRABCB11ADRB1 | |
| SCHEMBL8936892 | 0.69 | PTPN1 (0.37) | TACR1KCNH2MLNRABCB11ADRB1 | |
| SCHEMBL8936887 | 0.69 | PTPN1 (0.37) | TACR1KCNH2MLNRABCB11ADRB1 | |
| SCHEMBL8936832 | 0.69 | TACR1 (0.61) | TACR1KCNH2 | |
| Hydrochloric Acid SCHEMBL8936936 | 0.68 | PTPN1 (0.36) | TACR1ADRA2CSLC6A2HTR2CSLC6A4 | |
| Hydrochloric Acid SCHEMBL8936924 | 0.68 | PTPN1 (0.36) | TACR1ADRA2CSLC6A2HTR2CSLC6A4 | |
| SCHEMBL8936863 | 0.65 | TACR1 (0.45) | TACR1 | |
| SCHEMBL8507790 | 0.65 | TACR1 (0.49) | TACR1ALDH1A1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5494926-A | ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE | MERCK SHARP & DOHME LTD. (GB) | 1996-02-27 | — | — | US | claimed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | claimed |
| US-5494926-A | ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE | MERCK SHARP & DOHME LTD. (GB) | 1996-02-27 | — | — | US | disclosed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | disclosed |