Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MB | P02144 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11385176 | 0.90 | RAB9A (0.63) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL9518238 | 0.89 | GAA (0.71) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL9478153 | 0.89 | RAB9A (0.62) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL11841835 | 0.84 | GAA (0.65) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL9221638 | 0.81 | MTNR1A (0.68) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL464521 | 0.81 | RAB9A (0.65) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL8577242 | 0.81 | GAA (0.71) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL11388934 | 0.81 | RAB9A (0.65) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL6033907 | 0.80 | GAA (0.69) | GAARAB9ANPC1USP2ALDH1A1 | |
| SCHEMBL29952706 | 0.80 | GAA (0.59) | GAARAB9ANPC1USP2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716936-A | Pyrrolidine derivatives for the treatment of cholecystokinine and gastrine-related disorders | RHONE-POULENC RORER S.A. (FR) | 1998-02-10 | — | — | US | disclosed |
| US-4258045-A | 2,4-DIAMINO-5-((ARYLALKOXY)BENZYL)-PYRIMIDINES AS ANTIBACTERIAL, ANTIPROTOZOAL AND ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-3951987-A | PSYCHOSEDATIVE | HOFFMANN-LA ROCHE INC. (US) | 1976-04-20 | — | — | US | disclosed |