Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.69 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | TTR | P02766 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.52 |
| ▸ | NQO2 | P16083 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | AHR | P35869 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | BCR | P11274 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.52 |
| ▸ | TUBB | P07437 | 1/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL527049 | 0.90 | ALDH1A1 (0.86) | ALDH1A1CYP2A6TTRCYP1A2PARP10 | |
| SCHEMBL30644968 | 0.87 | ALDH1A1 (0.62) | ALDH1A1CYP2A6TTRLMNAKDM4E | |
| SCHEMBL1874850 | 0.87 | ALDH1A1 (0.62) | ALDH1A1CYP2A6TTRLMNAKDM4E | |
| SCHEMBL3970350 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP2A6ESR1TTRCYP1A1 | |
| SCHEMBL8547510 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP2A6TTRPARP10PARP3 | |
| Anisaldehyde SCHEMBL717471 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CYP2A6ESR1TTRCYP1A1 | |
| Anisaldehyde SCHEMBL1100 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CYP2A6ESR1TTRCYP1A1 | |
| SCHEMBL1663469 | 0.82 | PARP10 (0.65) | ALDH1A1CYP2A6PARP10PARP3LMNA | |
| SCHEMBL5050902 | 0.82 | PARP10 (0.65) | ALDH1A1CYP2A6PARP10PARP3LMNA | |
| SCHEMBL19296413 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP2A6TTRCYP1A1CYP1B1 |
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 |