Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOAT1 | P35610 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL4396869 | 0.90 | SOAT1 (0.37) | SOAT1FAAHMEN1KMT2ATP53 | |
| SCHEMBL5372245 | 0.81 | — | — | |
| SCHEMBL27033087 | 0.80 | TSHR (0.60) | MEN1KMT2ATSHRHDAC11LMNA | |
| SCHEMBL7752352 | 0.80 | TSHR (0.60) | MEN1KMT2ATSHRHDAC11LMNA | |
| SCHEMBL7595730 | 0.80 | TSHR (0.60) | MEN1KMT2ATSHRHDAC11LMNA | |
| SCHEMBL10791260 | 0.80 | TSHR (0.60) | MEN1KMT2ATSHRHDAC11LMNA | |
| SCHEMBL9436431 | 0.80 | TSHR (0.60) | MEN1KMT2ATSHRHDAC11LMNA | |
| SCHEMBL3960369 | 0.80 | TSHR (0.60) | MEN1KMT2ATSHRHDAC11LMNA | |
| SCHEMBL10791818 | 0.78 | TSHR (0.56) | FAAHMEN1KMT2ATP53CES2 | |
| SCHEMBL25293609 | 0.78 | KMT2A (0.52) | SOAT1FAAHMEN1KMT2ATP53 |
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-1737471-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES | RND Pharmaceuticals (US) | 2007-01-03 | — | — | EP | claimed |
| WO-2005102358-A2 | SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS | RND PHARMACEUTICALS (US) | 2005-11-03 | — | — | WO | claimed |