Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7657575 | 1.00 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| SCHEMBL5564125 | 0.87 | ACHE (0.41) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| SCHEMBL24112504 | 0.85 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| SCHEMBL27536992 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| SCHEMBL926564 | 0.81 | DRD2 (0.52) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| SCHEMBL7660514 | 0.81 | DRD2 (0.52) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| 1,2-Dimethoxybenzene SCHEMBL27572044 | 0.78 | GAA (0.53) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| SCHEMBL7036768 | 0.78 | MEN1 (0.43) | ALDH1A1HPGDMEN1KMT2ACYP2D6 | |
| SCHEMBL27904690 | 0.72 | MAPT (0.51) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| Hydrochloric Acid SCHEMBL10908879 | 0.71 | MAPT (0.50) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 |
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-6403561-B1 | DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2002-06-11 | — | — | US | disclosed |