Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | GRM5 | P41594 | 2/20 | 0.52 |
| ▸ | AR | P10275 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27447701 | 0.87 | TOP1 (0.56) | CYP1A2GRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21026687 | 0.80 | CYP1A2 (0.70) | CYP1A2SMN1; SMN2GSTP1HPGDLTA4H | |
| SCHEMBL11403749 | 0.77 | MEN1 (0.60) | CYP1A2NPC1RAB9ASMN1; SMN2LTA4H | |
| SCHEMBL3259551 | 0.77 | CYP1A2 (1.00) | CYP1A2RAB9AHPGDMEN1KMT2A | |
| SCHEMBL5821136 | 0.76 | CYP1A2 (0.65) | CYP1A2NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL1680623 | 0.76 | CASP3 (0.61) | GRM5GSTP1 | |
| SCHEMBL31666963 | 0.76 | CASP3 (0.61) | GRM5GSTP1 | |
| SCHEMBL11545628 | 0.75 | BCHE (0.57) | CYP1A2ARNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5138493 | 0.75 | CYP1A2 (0.96) | CYP1A2RAB9AHPGDMEN1KMT2A | |
| SCHEMBL9657352 | 0.74 | CYP1A2 (0.71) | CYP1A2NPC1RAB9AHPGDMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0516588-A1 | Substituted diaminophtalimides and analogues | CIBA-GEIGY AG (CH) | 1992-12-02 | — | — | EP | disclosed |