Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547155 | 0.82 | CYP2D6 (0.44) | PTGS2NOS3NOS1KMT2ANPSR1 | |
| SCHEMBL8585835 | 0.80 | PTGS2 (0.53) | PTGS2NOS3NOS1CYP1A2KMT2A | |
| SCHEMBL4361001 | 0.79 | PTGS2 (0.50) | PTGS2NOS3NOS1KMT2AMEN1 | |
| SCHEMBL4361000 | 0.79 | PTGS2 (0.50) | PTGS2NOS3NOS1KMT2AMEN1 | |
| SCHEMBL14925518 | 0.79 | PTGS2 (0.50) | PTGS2NOS3NOS1KMT2AMEN1 | |
| SCHEMBL11594058 | 0.78 | KMT2A (0.57) | CYP1A2KMT2ACYP2C19MEN1MAPT | |
| SCHEMBL6199076 | 0.78 | S100B (0.46) | PTGS2NOS3NOS1KMT2ANPSR1 | |
| SCHEMBL6199068 | 0.78 | S100B (0.46) | PTGS2NOS3NOS1KMT2ANPSR1 | |
| SCHEMBL11548141 | 0.77 | CA1 (0.41) | PTGS2LMNACA1CA2ACHE | |
| SCHEMBL11548138 | 0.77 | CA1 (0.41) | PTGS2LMNACA1CA2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0705815-B1 | Process for the preparation of N-arylaminoacrylic acid derivatives | BAYER AG (DE) | 1998-01-14 | — | — | EP | disclosed |
| EP-0705815-A1 | Process for the preparation of N-arylaminoacrylic acid derivatives and their use for preparing 4-quinolone-3-carboxylic acid derivatives | BAYER AG (DE) | 1996-04-10 | — | — | EP | disclosed |