Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 9/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7351196 | 0.86 | TSHR (0.49) | TSHRTDP1HTTALDH1A1CYP3A4 | |
| SCHEMBL7989568 | 0.85 | HTT (0.49) | TSHRTDP1HTTALDH1A1CYP3A4 | |
| SCHEMBL11874413 | 0.84 | HTT (0.47) | TSHRTDP1HTTALDH1A1CYP3A4 | |
| SCHEMBL6275780 | 0.81 | TSHR (0.50) | TSHRTDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL11983744 | 0.80 | ALDH1A1 (0.52) | TSHRTDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL17846884 | 0.79 | TSHR (0.42) | TSHRTDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL1683191 | 0.79 | TSHR (0.57) | TSHRTDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL28047042 | 0.79 | TDP1 (0.47) | TSHRTDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL7218657 | 0.79 | TPMT (0.47) | TSHRTDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL11422449 | 0.77 | TDP1 (0.47) | TSHRTDP1HTTALDH1A1CYP3A4 |
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 |