Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21507822 | 0.88 | KDM4E (0.43) | AKR1C3AKR1C2SCN9ANOTUMTMPRSS4 | |
| SCHEMBL21507816 | 0.87 | F11 (0.38) | AKR1C3AKR1C2F11SCN9ANOTUM | |
| SCHEMBL18713986 | 0.85 | AKR1C3 (0.42) | AKR1C3AKR1C2TRPV3F11SCN9A | |
| SCHEMBL21507998 | 0.81 | PTGS2 (0.44) | LMNATP53HTTTSHR | |
| SCHEMBL20032372 | 0.80 | AKR1C3 (0.39) | AKR1C3AKR1C2TRPV3F11SCN9A | |
| SCHEMBL16574088 | 0.80 | SCN9A (0.48) | AKR1C3AKR1C2SCN9AKMOCYP3A4 | |
| SCHEMBL21507823 | 0.77 | TRPV1 (0.49) | LMNATP53HTTCYP3A4 | |
| SCHEMBL21508375 | 0.77 | AKR1C3 (0.43) | AKR1C3AKR1C2LMNAHTTCYP3A4 | |
| SCHEMBL3017108 | 0.76 | AKR1C3 (0.39) | AKR1C3AKR1C2TRPV3SCN9AKMO | |
| SCHEMBL4547920 | 0.76 | GABRA1 (0.42) | LMNATP53HTTCYP3A4TSHR |
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-2018060949-A1 | TRYPTOPHAN HYDROXYLASE INHIBITORS FOR USE IN THE TREATMENT OF LIVER DISEASES | ROIVANT SCIENCES GMBH (CH) | 2018-04-05 | — | — | WO | disclosed |