Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 5/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20633135 | 0.89 | CYP11B2 (0.35) | RAB9AMAPTCYP11B2CYP11B1KCNH2 | |
| SCHEMBL20631659 | 0.89 | GRIN1 (0.32) | HTR2CHTR2ALMNA | |
| SCHEMBL20632618 | 0.87 | CYP11B2 (0.35) | RAB9AMAPTCYP11B2CYP11B1KCNH2 | |
| SCHEMBL20631699 | 0.86 | CYP11B2 (0.35) | CYP11B2ATR | |
| SCHEMBL20632213 | 0.85 | GRIN1 (0.31) | CCNA2CDK2CCNA1 | |
| SCHEMBL20631589 | 0.85 | PHGDH (0.35) | MAPTKDM4EMEN1KMT2AKCNH2 | |
| SCHEMBL20632750 | 0.84 | GRIN1 (0.37) | CCNA2CDK2CCNA1 | |
| SCHEMBL20633408 | 0.84 | CYP11B2 (0.35) | CYP11B2 | |
| SCHEMBL20632292 | 0.84 | HTR2C (0.41) | CYP1A2TP53CYP3A4CYP2D6TSHR | |
| SCHEMBL20631643 | 0.83 | HTR2C (0.41) | CYP1A2TP53CYP3A4CYP2D6TSHR |
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 |