Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL329884 | 0.89 | HTR2C (0.51) | HTR2CKMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL10513388 | 0.80 | DRD2 (0.48) | HTR2AHTR2CKMT2ABCHE | |
| SCHEMBL9529244 | 0.80 | HTR2A (0.50) | HTR2AHTR2CHTR2BGRIN2DGRIN3B | |
| SCHEMBL10349437 | 0.80 | ADRB2 (0.52) | HTR2AHTR2CHTR2BKMT2ABCHE | |
| Bromide SCHEMBL9529700 | 0.79 | DRD2 (0.47) | HTR2AHTR2CKMT2ABCHE | |
| SCHEMBL10348907 | 0.78 | SLC22A1 (0.63) | BCHE | |
| SCHEMBL3453137 | 0.77 | HTR2A (0.49) | HTR2AHTR2CHTR2BKMT2AGRIN2D | |
| SCHEMBL10803298 | 0.76 | BCHE (0.58) | KMT2ABCHEOPRM1 | |
| SCHEMBL10348629 | 0.76 | BCHE (0.61) | KMT2ABCHEACHE | |
| SCHEMBL21470620 | 0.76 | HTR2B (0.65) | HTR2AHTR2CHTR2BGID4 |
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 3 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 |
| EP-0330360-A1 | 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists | SmithKline Beecham Farmaceutici S.p.A. (IT) | 1989-08-30 | — | — | EP | disclosed |