Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | MME | P08473 | 2/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | CPA1 | P15085 | 1/20 | 0.43 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13138704 | 0.88 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL19889937 | 0.83 | MEN1 (0.44) | SLC6A2SLC6A4SLC6A3KCNH2HTR2A | |
| SCHEMBL13178539 | 0.82 | CYP1A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL16377075 | 0.81 | PYCR1 (0.52) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL13178604 | 0.78 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL10137777 | 0.74 | CYP1A2 (0.53) | SLC6A3CYP1A2CYP2A6HTR2AHTR2C | |
| SCHEMBL26027596 | 0.72 | TRPV1 (0.51) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL18269436 | 0.71 | CYP1A2 (0.57) | SLC6A2SLC6A3CYP1A2CYP2A6HTR2A | |
| SCHEMBL8088882 | 0.70 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL16015735 | 0.70 | PYCR1 (0.56) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9872495-B2 | Peptoid oligomers, pharmaceutical compositions and methods of using the same | NEW YORK UNIVERSITY (US) | 2018-01-23 | — | — | US | disclosed |