Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 8/20 | 0.49 |
| ▸ | HTR2C | P28335 | 8/20 | 0.49 |
| ▸ | HTR2B | P41595 | 7/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL9529244 | 0.88 | HTR2A (0.50) | HTR2AHTR2CHTR2BGRIN2DGRIN3B | |
| Bromide SCHEMBL9531808 | 0.84 | KDM1A (0.47) | KDM1AADRB1 | |
| SCHEMBL329884 | 0.80 | HTR2C (0.51) | HTR2CGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL330217 | 0.78 | PRCP (0.62) | HTR2AOPRM1OPRK1HRH1PRCP | |
| SCHEMBL15071424 | 0.75 | ALDH1A1 (0.52) | HTR2AHTR2CHTR2BGRIN2DGRIN3B | |
| SCHEMBL16203018 | 0.75 | OPRM1 (0.46) | HTR2AHTR2CHTR2BGRIN2DGRIN3B | |
| SCHEMBL6159366 | 0.74 | HTR2A (0.61) | HTR2AHTR2CHTR2BKDM1AADRB1 | |
| SCHEMBL31579647 | 0.74 | HTR2A (0.61) | HTR2AHTR2CHTR2BKDM1AADRB1 | |
| SCHEMBL9529130 | 0.74 | HTR2A (0.43) | HTR2AHTR2CHTR2BGRIN2DGRIN3B | |
| SCHEMBL16203025 | 0.74 | ALDH1A1 (0.51) | HTR2AHTR2CHTR2BGRIN2DGRIN3B |
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-0330360-B1 | 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists | SMITHKLINE BEECHAM FARMA (IT) | 1993-12-01 | — | — | EP | disclosed |
| US-4954509-A | Isoquinoline derivatives and their use as analgesics | DR. LO. ZAMBELETTI S.P.A. (IT) | 1990-09-04 | — | — | US | disclosed |