Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ELOVL1 | Q9BW60 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 3/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.42 |
| ▸ | BPTF | Q12830 | 1/20 | 0.42 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27469238 | 1.00 | NUDT1 (0.51) | NUDT1LMNAELOVL1CNR2KDM4C | |
| SCHEMBL17602059 | 0.89 | NUDT1 (0.46) | NUDT1LMNAELOVL1CNR2KDM4C | |
| SCHEMBL17602133 | 0.81 | CNR2 (0.50) | NUDT1ELOVL1CNR2KDM4CTSHR | |
| SCHEMBL10785544 | 0.79 | PDE10A (0.50) | NUDT1CNR2KDM4CCYP1A2CYP2D6 | |
| SCHEMBL23379678 | 0.79 | NUDT1 (0.52) | NUDT1ELOVL1CNR2CYP1A2CYP2D6 | |
| SCHEMBL19888013 | 0.79 | KDM4E (0.50) | CNR2 | |
| SCHEMBL17602290 | 0.78 | KDM4C (0.54) | NUDT1ELOVL1CNR2KDM4CCYP1A2 | |
| SCHEMBL3794499 | 0.78 | CNR2 (0.49) | NUDT1CNR2SYK | |
| SCHEMBL27559614 | 0.78 | NUDT1 (0.54) | NUDT1ELOVL1CYP1A2CYP2D6GSK3B | |
| SCHEMBL8664503 | 0.78 | SMN1; SMN2 (0.49) | NUDT1LMNATSHRBPTF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1075812-C | Prodrugs of morpholine tachykinin receptor antagonists | MERCK & CO INC (US) | 2001-12-05 | — | — | CN | disclosed |
| CN-1147254-A | Prodrugs of morpholine tachykinin receptor antagonists | MERCK & CO INC (US) | 1997-04-09 | — | — | CN | disclosed |