Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SQLE | Q14534 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | UGT1A1 | P22309 | 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 | |
|---|---|---|---|---|
| SCHEMBL8602195 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HPGDSQLEKMT2ANR1I2 | |
| SCHEMBL1301451 | 0.89 | ALDH1A1 (0.75) | ALDH1A1SQLEKMT2ANR1I2LMNA | |
| SCHEMBL1301456 | 0.89 | ALDH1A1 (0.75) | ALDH1A1SQLEKMT2ANR1I2LMNA | |
| SCHEMBL1301453 | 0.89 | ALDH1A1 (0.75) | ALDH1A1SQLEKMT2ANR1I2LMNA | |
| SCHEMBL8601730 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDSQLEKMT2ANR1I2 | |
| SCHEMBL8601528 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDSQLEKMT2ANR1I2 | |
| SCHEMBL27851672 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDSQLEKMT2ANR1I2 | |
| SCHEMBL2563046 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDSQLEKMT2ANR1I2 | |
| SCHEMBL3913257 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDSQLEKMT2ANR1I2 | |
| SCHEMBL8603347 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDSQLEKMT2ANR1I2 |
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-5710290-A | Functionalized cycloaliphatic nitrile oxides | THE DOW CHEMICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| US-3953524-A | Catalytic hydrogenation of alpha,beta-unsaturated aldehydes to alpha,beta-unsaturated alcohols | HOFFMANN-LA ROCHE INC. (US) | 1976-04-27 | — | — | US | disclosed |