Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 5/20 | 0.57 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL6554194 | 1.00 | ITGB3 (0.57) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| SCHEMBL6553933 | 0.84 | MTNR1A (0.51) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| SCHEMBL6554279 | 0.84 | MTNR1A (0.51) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| SCHEMBL6554163 | 0.84 | MTNR1A (0.51) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| Hydrochloric Acid SCHEMBL6555750 | 0.83 | MTNR1A (0.50) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| SCHEMBL6554181 | 0.82 | MTNR1A (0.44) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| SCHEMBL6553963 | 0.82 | MTNR1A (0.44) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| SCHEMBL6555465 | 0.82 | MTNR1A (0.44) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| Hydrochloric Acid SCHEMBL6555480 | 0.81 | MTNR1A (0.43) | ITGB3ITGA2BALOX5MTNR1AMALT1 | |
| SCHEMBL6554292 | 0.79 | SIGMAR1 (0.51) | ITGB3ITGA2BMALT1LTB4RLTB4R2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0892044-B1 | Esterase and its use for the production of optically active chroman compounds | MITSUI CHEMICALS INC (JP) | 2004-12-29 | — | — | EP | disclosed |
| US-6303349-B1 | CONTACTING CHROMAN-3-ACETIC ACID ESTER WITH ESTER HYDROLASE TO HYDROLYZE TO CHROMAN-3-ACETIC ACID | MITSUI CHEMICALS, INC. (JP) | 2001-10-16 | — | — | US | disclosed |
| US-6060290-A | DERIVED FROM BACTERIA OF GENUS PSEUDONOCARDIA | MITSUI CHEMICALS INCORPORATED (JP) | 2000-05-09 | — | — | US | disclosed |
| EP-0892044-A2 | Esterase and its use for the production of optically active chroman compounds | Mitsui Chemicals, Inc. (JP) | 1999-01-20 | — | — | EP | disclosed |