Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3843643 | 0.76 | METAP1 (0.70) | METAP1HTR2AACHEHTR2CHTR2B | |
| SCHEMBL11705648 | 0.76 | HTR2C (0.51) | HTR2AMTNR1AMTNR1BADRB2HTR1A | |
| SCHEMBL10163625 | 0.74 | LMNA (0.51) | METAP1MTNR1AMTNR1BACHESIGMAR1 | |
| SCHEMBL14306761 | 0.73 | METAP1 (0.72) | METAP1ACHE | |
| Hydrochloric Acid SCHEMBL9427761 | 0.72 | HTR2A (0.52) | METAP1HTR2AMTNR1AMTNR1BADRB2 | |
| SCHEMBL11647146 | 0.72 | MTNR1A (0.62) | MTNR1AMTNR1BADRB2HTR1AADRA2A | |
| SCHEMBL9467265 | 0.72 | MTNR1A (0.52) | MTNR1AMTNR1BNQO2 | |
| SCHEMBL2060754 | 0.71 | HTR2C (0.52) | HTR2AMTNR1AMTNR1BADRB2HTR1A | |
| SCHEMBL18634105 | 0.70 | METAP1 (0.43) | METAP1ACHEADRB2HTR1AADRA2A | |
| SCHEMBL23788244 | 0.70 | MTNR1A (0.57) | MTNR1AMTNR1BADRB2HTR1AADRA2A |
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-1140815-A1 | NOVEL THIO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT | AstraZeneca AB (SE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037438-A1 | NOVEL THIO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT | ASTRAZENECA AB (SE) | 2000-06-29 | — | — | WO | disclosed |