Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7651165 | 0.78 | TAAR1 (0.43) | TAAR1AKR1B1SMN1; SMN2ADRA2ACYP3A4 | |
| SCHEMBL7651167 | 0.78 | TAAR1 (0.43) | TAAR1AKR1B1SMN1; SMN2ADRA2ACYP3A4 | |
| SCHEMBL2426412 | 0.77 | AKR1B1 (0.43) | TAAR1AKR1B1SMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL11276473 | 0.77 | SLC6A2 (0.54) | TAAR1CYP3A4CYP2D6LMNAMAOA | |
| SCHEMBL15083012 | 0.77 | AKR1B1 (0.43) | TAAR1AKR1B1SMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL13692457 | 0.77 | SLC6A2 (0.54) | TAAR1CYP3A4CYP2D6LMNAMAOA | |
| SCHEMBL3058311 | 0.76 | PNMT (0.52) | TAAR1SMN1; SMN2CYP3A4CYP2D6LMNA | |
| SCHEMBL10325433 | 0.76 | AKR1B1 (0.42) | TAAR1AKR1B1SMN1; SMN2ADRA2ACYP3A4 | |
| SCHEMBL16054505 | 0.76 | AKR1B1 (0.42) | TAAR1AKR1B1SMN1; SMN2ADRA2ACYP3A4 | |
| SCHEMBL2511832 | 0.76 | TAAR1 (0.50) | TAAR1AKR1B1SMN1; SMN2ADRA2ACYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620809-B1 | $g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 1997-03-05 | — | — | EP | disclosed |
| US-5480912-A | Method of treating HIV-1 with α-substituted benzenemethanamine derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1996-01-02 | — | — | US | disclosed |
| US-5407961-A | Useful for treating HIV-1 virus | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-04-18 | — | — | US | disclosed |
| EP-0620809-A1 | -g(a)-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES. | JANSSEN PHARMACEUTICA NV (BE) | 1994-10-26 | — | — | EP | disclosed |
| WO-1993013052-A1 | α-SUBSTITUTED BENZENEMETHANAMINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-07-08 | — | — | WO | disclosed |