Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27713169 | 0.86 | HSD17B10 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL283411 | 0.78 | THRB (0.49) | LMNA | |
| SCHEMBL27666342 | 0.78 | ESR1 (0.48) | TAAR1SLC6A2 | |
| SCHEMBL19002430 | 0.77 | PNMT (0.46) | PNMTTAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL15849014 | 0.76 | CYP3A4 (0.48) | PNMTSLC6A4SLC6A2SLC6A3IDO1 | |
| SCHEMBL21377275 | 0.75 | ESR1 (0.38) | — | |
| SCHEMBL3298586 | 0.75 | IDO1 (0.64) | PNMTTAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8205756 | 0.74 | CYP1A2 (0.42) | TAAR1CYP1A2SIGMAR1ALDH1A1LMNA | |
| SCHEMBL18459013 | 0.74 | ADRA2A (0.40) | TAAR1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL8179934 | 0.73 | GSR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017106552-A1 | POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AND COMBINATION THERAPY | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2017-06-22 | — | — | WO | disclosed |