Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | GAPDH | P04406 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8014456 | 0.84 | AKR1B1 (0.53) | AKR1B1LMNAALDH1A1TDP1OR51E2 | |
| SCHEMBL8014451 | 0.84 | AKR1B1 (0.53) | AKR1B1LMNAALDH1A1TDP1OR51E2 | |
| Acetone SCHEMBL2871076 | 0.80 | AKR1B1 (0.78) | AKR1B1LMNAALDH1A1TDP1OR51E2 | |
| Acetone SCHEMBL5567209 | 0.80 | AKR1B1 (0.78) | AKR1B1LMNAALDH1A1TDP1OR51E2 | |
| Acetone SCHEMBL1711073 | 0.80 | AKR1B1 (0.78) | AKR1B1LMNAALDH1A1TDP1OR51E2 | |
| Acetone SCHEMBL28376337 | 0.80 | AKR1B1 (0.78) | AKR1B1LMNAALDH1A1TDP1OR51E2 | |
| Acetone SCHEMBL9466071 | 0.80 | AKR1B1 (0.78) | AKR1B1LMNAALDH1A1TDP1OR51E2 | |
| SCHEMBL12927523 | 0.77 | GAPDH (0.50) | AKR1B1LMNAALDH1A1TDP1GAPDH | |
| SCHEMBL18315417 | 0.76 | OR51E2 (0.42) | AKR1B1OR51E2USP2TGFBR1CYP2C9 | |
| SCHEMBL18315416 | 0.76 | OR51E2 (0.42) | AKR1B1OR51E2USP2TGFBR1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5164113-A | Ferroelectric, polarization promoters | MITSUBISHI RAYON CO., LTD. (JP) | 1992-11-17 | — | — | US | disclosed |
| EP-0396410-A2 | Optical active compound and liquid crystal composition | MITSUBISHI RAYON CO., LTD. (JP) | 1990-11-07 | — | — | EP | disclosed |