Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4317540 | 0.77 | MEN1 (0.49) | ALDH1A1CYP2C19CYP1A2MEN1CYP3A4 | |
| SCHEMBL19638020 | 0.77 | ALDH1A1 (0.65) | ALDH1A1CYP2D6CYP2C19CYP1A2MEN1 | |
| SCHEMBL1387495 | 0.76 | LMNA (0.58) | ALDH1A1MEN1KMT2AHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4425282 | 0.76 | LMNA (0.48) | ALDH1A1CYP2C19CYP1A2MEN1CYP3A4 | |
| SCHEMBL27479895 | 0.75 | IDO1 (0.39) | MEN1KMT2AHDAC1HDAC8 | |
| SCHEMBL7979826 | 0.75 | LMNA (0.53) | ALDH1A1CYP2D6CYP2C19CYP1A2MEN1 | |
| SCHEMBL11810359 | 0.74 | ALDH1A1 (0.49) | ALDH1A1CYP2D6CYP2C19CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL27564884 | 0.74 | IDO1 (0.40) | MEN1KMT2A | |
| SCHEMBL13170074 | 0.74 | MEN1 (0.60) | ALDH1A1CYP2C19CYP1A2MEN1CYP3A4 | |
| SCHEMBL1387531 | 0.73 | HTT (0.50) | ALDH1A1CYP2C19CYP1A2MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-H09504278-A | — | — | 1997-04-28 | — | — | JP | claimed |
| EP-0723438-A1 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-07-31 | — | — | EP | claimed |
| WO-1995009619-A2 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-04-13 | — | — | WO | claimed |
| US-6297276-B1 | Substituted urea and isothiourea derivatives as no synthase inhibitors | GLAXOSMITHKLINE | 2001-10-02 | — | — | US | disclosed |
| US-6225305-B1 | Substituted urea and isothiorea derivatives as no synthase inhibitors | GLAXO WELLCOME INC. | 2001-05-01 | — | — | US | disclosed |
| US-6090846-A | ADMINISTERING S-ETHYL-N-((4-TRIFLUOROMETHYL)PHENYL)ISOTHIOUREA | GLAXO WELLCOME INC. (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0723438-A1 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995009619-A2 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-04-13 | — | — | WO | disclosed |