Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | GAA | P10253 | 9/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | PEPD | P12955 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5075214 | 0.89 | PEPD (0.52) | ALDH1A1GAAMAPTCYP3A4TDP1 | |
| SCHEMBL20984261 | 0.82 | GAA (0.62) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL9179118 | 0.82 | PEPD (0.64) | ALDH1A1GAAMAPTHPGDCYP3A4 | |
| SCHEMBL4144893 | 0.79 | GAA (0.51) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL14001690 | 0.78 | CYP3A4 (0.63) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL458638 | 0.78 | CA2 (0.56) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL8602491 | 0.78 | NPC1 (0.63) | ALDH1A1GAAMAPTALOX12CYP1A2 | |
| SCHEMBL3294840 | 0.78 | KIF11 (0.57) | ALDH1A1GAATDP1KDM4ELMNA | |
| SCHEMBL10514852 | 0.78 | ALDH1A1 (0.47) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL8601895 | 0.78 | GAA (0.58) | ALDH1A1GAAMAPTTDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501814-A1 | SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES | MERCK PATENT GmbH (DE) | 2005-02-02 | — | — | EP | claimed |
| WO-2003093254-A1 | SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2003-11-13 | — | — | WO | claimed |