Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | F3 | P13726 | 2/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28422488 | 1.00 | ALDH1A1 (0.52) | ALDH1A1THRBATMGSK3BHDAC3 | |
| SCHEMBL10734447 | 1.00 | ALDH1A1 (0.52) | ALDH1A1THRBATMGSK3BHDAC3 | |
| SCHEMBL8655219 | 0.87 | ALDH1A1 (0.52) | ALDH1A1THRBATMGSK3BHDAC3 | |
| SCHEMBL13906641 | 0.87 | ALDH1A1 (0.52) | ALDH1A1THRBATMGSK3BHDAC3 | |
| SCHEMBL11183020 | 0.86 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL11719071 | 0.86 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL14997267 | 0.82 | THRB (0.49) | ALDH1A1THRBATMGSK3BHDAC3 | |
| SCHEMBL8653627 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP1A2KDM4EMAPTBCHE | |
| SCHEMBL8653628 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP1A2KDM4EMAPTBCHE | |
| SCHEMBL10739476 | 0.81 | ALDH1A1 (0.52) | ALDH1A1GSK3BF3BACE1KDM4E |
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-4634775-A | HYDROGENATION CATALYSTS FOR ACYLAMINO-ACRYLIC ACIDS | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-01-06 | — | — | US | disclosed |
| EP-0151282-A1 | Optically active 3,4-bis-(diphenylphosphino)-pyrrolidine, rhodium complexes containing them as chiral ligands, and their use | Degussa Aktiengesellschaft (DE) | 1985-08-14 | — | — | EP | disclosed |