Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CB | P42338 | 7/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399406 | 0.86 | MAPT (0.49) | PIK3CBHTTLMNAKDM4EALDH1A1 | |
| SCHEMBL27684509 | 0.78 | CNR2 (0.43) | PIK3CBHTTLMNAKDM4EALDH1A1 | |
| SCHEMBL27664989 | 0.70 | DPP4 (0.47) | POLBHSD17B10 | |
| SCHEMBL7216508 | 0.68 | CNR2 (0.58) | HTTLMNARAB9ACNR2POLB | |
| SCHEMBL17476483 | 0.68 | ALDH1A1 (0.43) | PIK3CBHTTLMNAKDM4EALDH1A1 | |
| SCHEMBL27882082 | 0.67 | CYP2C19 (0.45) | PIK3CBHTTLMNAKDM4EALDH1A1 | |
| SCHEMBL3095284 | 0.67 | IKBKB (0.56) | PIK3CBHTTKDM4EALDH1A1HPGD | |
| SCHEMBL2130081 | 0.67 | KMT2A (0.54) | HTTKDM4EALDH1A1HPGDPIK3CA | |
| SCHEMBL1239649 | 0.67 | KDM4E (0.66) | PIK3CBHTTLMNAKDM4EALDH1A1 | |
| SCHEMBL27967258 | 0.65 | KMT2A (0.49) | PIK3CBHTTLMNAKDM4EALDH1A1 |
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-1984891-B | Process for the preparation of carboxamide pyridine derivatives useful as intermediates in the synthesis of NK-1 receptor antagonists | HOFFMANN LA ROCHE | 2012-08-08 | — | — | CN | disclosed |
| CN-1984891-A | Process for the preparation of carboxamide pyridine derivatives useful as intermediates in the synthesis of NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2007-06-20 | — | — | CN | disclosed |