Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MCOLN2 | Q8IZK6 | 6/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10609361 | 0.84 | TDP1 (0.37) | ALDH1A1TSHRMAPTATMTDP1 | |
| SCHEMBL10610685 | 0.76 | CES2 (0.41) | ALDH1A1GAATSHRHPGDCYP1A2 | |
| SCHEMBL10426437 | 0.68 | CYP1A2 (0.39) | ALDH1A1GAAMCOLN2MAPTSMN1; SMN2 | |
| SCHEMBL2940941 | 0.68 | FAAH (0.49) | ALDH1A1GAALMNAMAPTSMN1; SMN2 | |
| SCHEMBL6903312 | 0.67 | ELANE (0.49) | ALDH1A1GAATSHRLMNAMAPT | |
| SCHEMBL10611755 | 0.67 | HMGCR (0.37) | ALDH1A1MAPTSMN1; SMN2HPGDATM | |
| SCHEMBL5691679 | 0.66 | KMT2A (0.47) | ALDH1A1GAATSHRLMNAMAPT | |
| SCHEMBL4596733 | 0.64 | ALDH1A1 (0.50) | ALDH1A1GAALMNAMAPTSMN1; SMN2 | |
| SCHEMBL9726610 | 0.64 | HMGCR (0.39) | ALDH1A1TSHRHPGDCYP1A2CYP2D6 | |
| SCHEMBL2352959 | 0.63 | ALDH1A1 (0.40) | ALDH1A1GAALMNAMAPTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4897490-A | DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE | BRISTOL-MEYERS COMPANY (US) | 1990-01-30 | — | — | US | disclosed |