Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8045114 | 1.00 | SLC6A4 (0.44) | SLC6A4SLC6A2TAAR1ADRB2ADRB1 | |
| Methylamine SCHEMBL8583464 | 0.96 | SLC6A4 (0.41) | SLC6A4SLC6A2TAAR1ADRB2ADRB1 | |
| SCHEMBL22728188 | 0.81 | ATM (0.44) | SLC6A4SLC6A2TAAR1ADRB2SLC6A3 | |
| SCHEMBL10366932 | 0.81 | ACP3 (0.39) | SLC6A4SLC6A2TSHR | |
| SCHEMBL8031389 | 0.80 | TAAR1 (0.48) | SLC6A4SLC6A2TAAR1SLC6A3CYP2D6 | |
| SCHEMBL6422129 | 0.80 | TAAR1 (0.48) | SLC6A4SLC6A2TAAR1SLC6A3CYP2D6 | |
| SCHEMBL6421394 | 0.80 | TAAR1 (0.48) | SLC6A4SLC6A2TAAR1SLC6A3CYP2D6 | |
| SCHEMBL6424065 | 0.80 | SLC6A2 (0.51) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL6424063 | 0.80 | SLC6A2 (0.51) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL11075225 | 0.80 | SLC6A4 (0.47) | SLC6A4SLC6A2TAAR1ADRB2ADRB1 |
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-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |