Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPT1A | P50416 | 3/20 | 0.60 |
| ▸ | CPT2 | P23786 | 2/20 | 0.60 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
| ▸ | CPT1B | Q92523 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 7/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24286419 | 0.86 | CPT1A (0.60) | CPT1ACPT2HTR6CPT1BPKM | |
| SCHEMBL23847011 | 0.83 | PKM (0.52) | CPT1ACPT2HTR6CPT1BPKM | |
| SCHEMBL750406 | 0.83 | CPT1A (0.80) | CPT1ACPT2HTR6CPT1BCYP2C9 | |
| SCHEMBL4475547 | 0.80 | HTR6 (0.69) | CPT1ACPT2HTR6CPT1BPKM | |
| SCHEMBL25754848 | 0.80 | NPC1 (0.62) | CPT1ACPT2HTR6PKMCYP3A4 | |
| SCHEMBL753546 | 0.79 | CYP2C9 (0.71) | CPT1ACPT2HTR6CPT1BCYP3A4 | |
| SCHEMBL4561789 | 0.79 | NR1H3 (0.56) | CPT1ACPT2HTR6CPT1BPKM | |
| SCHEMBL19648376 | 0.77 | CPT1A (0.71) | CPT1ACPT2CPT1B | |
| SCHEMBL24286691 | 0.76 | CPT1A (0.51) | CPT1ACPT2HTR6CPT1BPKM | |
| SCHEMBL24286198 | 0.76 | RORC (0.63) | CPT1ACPT2HTR6CPT1BPKM |
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-2846804-B1 | TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE | MERCK SHARP & DOHME (US) | 2017-11-29 | — | — | EP | disclosed |