Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | SYK | P43405 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7151009 | 0.75 | AOC3 (0.49) | TSHRPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL11225310 | 0.75 | CHRM2 (0.63) | TSHRCYP2D6HTR2CHTR2BPOLB | |
| SCHEMBL4056455 | 0.73 | ALDH1A1 (0.59) | TSHRSYKHTR2CHTR2BKMT2A | |
| SCHEMBL4048998 | 0.73 | ALDH1A1 (0.65) | TSHRSYKKMT2AALDH1A1KDM4E | |
| SCHEMBL29570200 | 0.73 | ALDH1A1 (0.65) | TSHRSYKKMT2AALDH1A1KDM4E | |
| SCHEMBL19752302 | 0.72 | POLB (0.54) | TSHRSYKPOLBMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5692356 | 0.72 | ALDH1A1 (0.64) | TSHRSYKKMT2AALDH1A1KDM4E | |
| SCHEMBL10196165 | 0.71 | SYK (1.00) | TSHRSYKCYP2D6POLBMEN1 | |
| SCHEMBL5738766 | 0.71 | LTA4H (0.66) | TSHRHTR2BALDH1A1KDM4ELMNA | |
| SCHEMBL5884747 | 0.71 | SYK (0.70) | TSHRSYKCYP2D6POLBMEN1 |
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-1373257-B9 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2008-10-15 | — | — | EP | disclosed |
| EP-1373257-B1 | INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2007-11-28 | — | — | EP | disclosed |