Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 13/20 | 0.41 |
| ▸ | HTR2A | P28223 | 9/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL19670640 | 0.90 | HTR2C (0.51) | HTR2CHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20633401 | 0.88 | HTR2C (0.42) | HTR2CHTR2ACYP1A2PKMTSHR | |
| SCHEMBL20631643 | 0.86 | HTR2C (0.41) | HTR2CHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20632419 | 0.84 | CYP11B2 (0.35) | CYP11B2 | |
| SCHEMBL20632430 | 0.84 | HTR2C (0.40) | HTR2CHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20631532 | 0.84 | HTR2C (0.40) | HTR2CHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20632592 | 0.84 | CYP1A2 (0.38) | HTR2CHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20632505 | 0.82 | NPC1 (0.39) | HTR2CHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20632544 | 0.82 | SCN10A (0.37) | PHGDHCYP11B2 | |
| SCHEMBL20632922 | 0.81 | KDM4E (0.36) | HTR2CHTR2AMAPTMEN1KMT2A |
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-2997029-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2019-01-09 | — | — | EP | disclosed |