Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7351987 | 0.86 | TDP1 (0.50) | TDP1ALDH1A1HTTL3MBTL1MAPT | |
| SCHEMBL9820288 | 0.85 | TDP1 (0.53) | TDP1ALDH1A1HTTL3MBTL1MAPT | |
| SCHEMBL31047331 | 0.85 | TDP1 (0.53) | TDP1ALDH1A1HTTL3MBTL1MAPT | |
| SCHEMBL31077739 | 0.83 | ALDH1A1 (0.55) | TDP1ALDH1A1L3MBTL1MAPTLMNA | |
| SCHEMBL4466194 | 0.83 | ALDH1A1 (0.55) | TDP1ALDH1A1L3MBTL1MAPTLMNA | |
| SCHEMBL8205960 | 0.81 | TDP1 (0.53) | TDP1ALDH1A1L3MBTL1MAPTLMNA | |
| SCHEMBL11983744 | 0.80 | ALDH1A1 (0.52) | TDP1ALDH1A1L3MBTL1MAPTLMNA | |
| SCHEMBL4871070 | 0.79 | PRSS1 (0.43) | TDP1ALDH1A1MAPTLMNAMAPK1 | |
| SCHEMBL8537615 | 0.79 | TDP1 (0.44) | TDP1ALDH1A1HTTL3MBTL1MAPT | |
| SCHEMBL32670661 | 0.79 | TDP1 (0.50) | TDP1ALDH1A1HTTL3MBTL1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993441-B1 | INHIBITORS OF p38 | VERTEX PHARMA (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6093742-A | TREATMENT OF INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, DESTRUCTIVE BONE DISORDERS, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, VIRAL DISEASE, AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 2000-07-25 | — | — | US | disclosed |
| EP-0993441-A1 | INHIBITORS OF p38 | Vertex Pharmaceuticals Incorporated (US) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999000357-A1 | INHIBITORS OF p38 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-01-07 | — | — | WO | disclosed |