Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.56 |
| ▸ | NOS3 | P29474 | 7/20 | 0.56 |
| ▸ | NOS1 | P29475 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 1/20 | 0.31 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22304299 | 0.83 | NOS2 (0.52) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL31312548 | 0.81 | NOS2 (0.54) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL984332 | 0.80 | NOS2 (0.52) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL14008614 | 0.79 | NOS2 (0.42) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL27592575 | 0.78 | NOS2 (0.40) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL10715648 | 0.77 | CYP2A6 (0.35) | NOS2NOS3KDM4E | |
| SCHEMBL18590248 | 0.77 | ALOX5AP (0.39) | NOS2NOS3NOS1PRKCIF12 | |
| SCHEMBL15889710 | 0.77 | NOS2 (0.39) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL5743434 | 0.76 | NOS2 (0.44) | NOS2NOS3NOS1 | |
| SCHEMBL8840123 | 0.76 | NOS3 (0.32) | NOS2NOS3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2637656-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064911-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |
| CN-1387561-A | Compositions and methods for bleaching substrates | UNILEVER NV (NL) | 2002-12-25 | — | — | CN | disclosed |