Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27433624 | 0.76 | ACHE (0.37) | MAPK14TDP1ACHEMAPTKDM4E | |
| SCHEMBL5999559 | 0.73 | SLC6A9 (0.51) | MAPTSMN1; SMN2LMNARAB9AMEN1 | |
| SCHEMBL5997936 | 0.72 | ALDH1A1 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL14248561 | 0.64 | ACHE (0.44) | ACHEKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL8706715 | 0.64 | TSHR (0.46) | TDP1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5045338 | 0.63 | ALDH1A1 (0.47) | ACHECYP3A4MAPTKDM4EHTT | |
| SCHEMBL5998800 | 0.62 | TAAR1 (0.52) | CYP3A4CYP2D6HTTSMN1; SMN2NPSR1 | |
| SCHEMBL8121494 | 0.62 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL6413341 | 0.62 | TDP1 (0.59) | MAPK14TDP1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7134347 | 0.62 | CNR2 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E |
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-1123564-C | Anti-inflammatory compounds | ORTHO MCNEIL PHARMACEUTICAL CO (US) | 2003-10-08 | — | — | CN | claimed |
| CN-1249742-A | Anti-inflammatory compounds | ORTHO MCNEIL PHARMACEUTICAL CO (US) | 2000-04-05 | — | — | CN | claimed |