Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | RHEB | Q15382 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | LTK | P29376 | 1/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | PRKX | P51817 | 1/20 | 0.34 |
| ▸ | NEK2 | P51955 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8480475 | 0.99 | TDP1 (0.42) | TDP1DDAH1NOS1NPSR1AAK1 | |
| SCHEMBL7808593 | 0.89 | TDP1 (0.54) | TDP1DDAH1NOS1NPSR1AAK1 | |
| Hydrochloric Acid SCHEMBL8480485 | 0.87 | TDP1 (0.52) | TDP1DDAH1NOS1NPSR1AAK1 | |
| SCHEMBL7813659 | 0.84 | SMN1; SMN2 (0.51) | DDAH1NOS1AAK1KDM4EPKM | |
| Hydrochloric Acid SCHEMBL8478184 | 0.83 | SMN1; SMN2 (0.50) | DDAH1NOS1AAK1KDM4EPKM | |
| Hydrochloric Acid SCHEMBL7807135 | 0.83 | TDP1 (0.39) | TDP1NPSR1RHEBKDM4EPKM | |
| SCHEMBL7808665 | 0.81 | RAB9A (0.48) | TDP1PKMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7801981 | 0.80 | SMN1; SMN2 (0.60) | KDM4EPKMNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8477873 | 0.79 | SMN1; SMN2 (0.59) | KDM4EPKMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7810775 | 0.79 | SMN1; SMN2 (0.57) | TDP1NPSR1PKMNPC1RAB9A |
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-0820990-B1 | Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors | ADIR (FR) | 2001-01-17 | — | — | EP | disclosed |
| EP-0820990-A2 | Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors | ADIR ET COMPAGNIE (FR) | 1998-01-28 | — | — | EP | disclosed |