Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031415 | 0.81 | ALDH1A1 (0.53) | PTGS1PTGS2MAPTCYP1A2CYP3A4 | |
| SCHEMBL7982712 | 0.80 | BCL9 (0.34) | MAPTKDM4EALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL7981083 | 0.80 | HRH4 (0.42) | CYP1A2KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL9760182 | 0.79 | PTGS1 (0.58) | PTGS1PTGS2MAPTCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9120456 | 0.78 | PTGS1 (0.57) | PTGS1PTGS2MAPTCYP1A2CYP3A4 | |
| SCHEMBL7983595 | 0.78 | PDE4A (0.39) | MAPTKDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL7982687 | 0.77 | DHFR (0.41) | MAPTKDM4EALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL7986875 | 0.77 | KDM4E (0.53) | CYP1A2KDM4EALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL7982679 | 0.76 | GAA (0.39) | MAPTCYP1A2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7986358 | 0.76 | BCL9 (0.54) | MAPTCYP1A2ALDH1A1SMN1; SMN2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |