Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20904516 | 0.86 | ALDH1A1 (0.56) | THRBIDO1NOS1NOS2HDAC1 | |
| SCHEMBL8546066 | 0.78 | MTNR1A (0.47) | ALDH1A1KDM4EHTT | |
| SCHEMBL25187902 | 0.78 | ALDH1A1 (0.47) | THRBIDO1HDAC1HDAC6HDAC2 | |
| SCHEMBL11310810 | 0.73 | TSHR (0.44) | NOS1ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL7754741 | 0.73 | THRB (0.56) | THRBIDO1NOS1NOS2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28232250 | 0.71 | THRB (0.54) | THRBIDO1NOS1NOS2ALDH1A1 | |
| SCHEMBL17485895 | 0.70 | CHKA (0.47) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL17065246 | 0.70 | THRB (0.59) | THRBIDO1NOS1NOS2ALDH1A1 | |
| SCHEMBL6895044 | 0.70 | THRB (0.59) | THRBIDO1NOS1NOS2HDAC1 | |
| Hydrochloric Acid SCHEMBL17065240 | 0.69 | THRB (0.56) | THRBIDO1NOS1NOS2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0696585-B1 | NOVEL BISOXADIAZOLIDINE DERIVATIVE | YAMANOUCHI PHARMA CO LTD (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5643931-A | ANTIDIABETIC AGENTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-07-01 | — | — | US | disclosed |
| EP-0696585-A1 | NOVEL BISOXADIAZOLIDINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-02-14 | — | — | EP | disclosed |