Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | GID4 | Q8IVV7 | 2/20 | 0.45 |
| ▸ | KDM1A | O60341 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL8747081 | 0.82 | SLC6A9 (0.46) | SLC6A9CYP3A4HTR2CHTR2BHTR2A | |
| Oxalic Acid SCHEMBL7425176 | 0.81 | HTR2A (0.42) | SLC6A9CYP3A4HTR2CHTR2BHTR2A | |
| SCHEMBL8747282 | 0.81 | SLC6A9 (0.51) | SLC6A9CYP3A4HTR2CHTR2BHTR2A | |
| SCHEMBL8747353 | 0.80 | HTR2C (0.45) | SLC6A9CYP3A4HTR2CHTR2BHTR2A | |
| Hydrochloric Acid SCHEMBL8747055 | 0.77 | PKM (0.54) | SLC6A9MAOATSHRMEN1LMNA | |
| SCHEMBL8029293 | 0.76 | SLC6A9 (0.85) | SLC6A9CYP3A4 | |
| Hydrochloric Acid SCHEMBL989925 | 0.76 | SLC6A9 (0.83) | SLC6A9CYP3A4 | |
| SCHEMBL8747118 | 0.75 | PKM (0.54) | SLC6A9CYP3A4MAOATSHRMEN1 | |
| SCHEMBL8013669 | 0.75 | SLC6A9 (0.75) | SLC6A9CYP3A4HTR2CHTR2BHTR2A | |
| SCHEMBL2364169 | 0.74 | GID4 (0.69) | HTR2CHTR2BHTR2AGID4KDM1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |