Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4331091 | 0.89 | HTR2A (0.59) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL27225389 | 0.89 | HTR2A (0.59) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL27099782 | 0.89 | HTR2A (0.59) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL3438951 | 0.79 | HTR2A (0.50) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL19122010 | 0.79 | HTR2A (0.50) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL737635 | 0.78 | OPRM1 (0.61) | HTR2ACYP2D6OPRM1OPRL1TACR1 | |
| Hydrochloric Acid SCHEMBL8587704 | 0.77 | HTR2A (0.48) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 | |
| Hydrochloric Acid SCHEMBL10007993 | 0.76 | OPRM1 (0.59) | HTR2ACYP2D6OPRM1OPRL1TACR1 | |
| SCHEMBL19074637 | 0.75 | SLC6A2 (0.51) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 | |
| Hydrochloric Acid SCHEMBL5874274 | 0.74 | CYP2D6 (0.46) | HTR2ASLC6A2SLC6A4CYP2D6SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109715155-A | blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |