Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | TLR2 | O60603 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28650823 | 0.99 | CTSB (0.46) | CTSBCTSSCTSLTLR2NPC1 | |
| SCHEMBL14650073 | 0.92 | CTSS (0.48) | CTSBCTSSCTSLTLR2NPC1 | |
| SCHEMBL606307 | 0.92 | CTSB (0.49) | CTSBCTSSCTSLTLR2NPC1 | |
| SCHEMBL28693731 | 0.91 | CTSS (0.50) | CTSBCTSSCTSLTLR2NPC1 | |
| Hydrochloric Acid SCHEMBL606498 | 0.91 | TLR2 (0.49) | CTSBCTSSCTSLTLR2NPC1 | |
| SCHEMBL30793308 | 0.89 | CTSL (0.48) | CTSBCTSSCTSLNPC1RAB9A | |
| SCHEMBL22495659 | 0.87 | CTSS (0.48) | CTSBCTSSCTSLTLR2NPC1 | |
| SCHEMBL14743992 | 0.84 | CTSL (0.54) | CTSBCTSSCTSLNPC1RAB9A | |
| SCHEMBL27778874 | 0.84 | CA12 (0.46) | CTSBCTSSCTSLTLR2NPC1 | |
| Tert-Butyl Formate SCHEMBL28092030 | 0.82 | TLR2 (0.42) | CTSBCTSSCTSLTLR2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022166974-A1 | PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-08-11 | — | — | WO | disclosed |
| EP-0228661-B1 | ISOXAZOLO-PYRIDO-BENZOXAZINE AND ISOTHIAZOLO-PYRIDO-BENZOXAZINE DERIVATIVES | ABBOTT LABORATORIES (US) | 1991-08-07 | — | — | EP | disclosed |
| US-4687770-A | Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives | ABBOTT LABORATORIES (US) | 1987-08-18 | — | — | US | disclosed |
| EP-0228661-A1 | Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives | ABBOTT LABORATORIES (US) | 1987-07-15 | — | — | EP | disclosed |