Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA2 | P47869 | 10/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 10/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20168494 | 0.84 | DGAT1 (0.46) | GABRA2GABRB2GAACYP1A2KDM4E | |
| SCHEMBL21266229 | 0.83 | GAA (0.39) | GABRA2GABRB2GAACYP1A2KDM4E | |
| SCHEMBL23138196 | 0.76 | GABRA2 (0.35) | GABRA2GABRB2GAACYP1A2KDM4E | |
| SCHEMBL20176917 | 0.75 | NOTUM (0.42) | GABRA2GABRB2GAACYP1A2KDM4E | |
| SCHEMBL16268982 | 0.73 | KMT2A (0.44) | GABRA2GABRB2GAACYP1A2KDM4E | |
| SCHEMBL24042389 | 0.73 | — | — | |
| SCHEMBL16268836 | 0.71 | CYP1A2 (0.50) | GABRA2GABRB2GAACYP1A2KDM4E | |
| SCHEMBL2553654 | 0.71 | DGAT1 (0.41) | GABRA2GABRB2GAACYP1A2 | |
| SCHEMBL7431910 | 0.71 | DGAT1 (0.49) | GABRA2GABRB2GAACYP1A2KDM4E | |
| SCHEMBL21090068 | 0.70 | GABRA2 (0.33) | GABRA2GABRB2GAACYP1A2ALDH1A1 |
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-2018093569-A1 | SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-24 | — | — | WO | disclosed |