Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19381879 | 0.79 | MAPT (0.41) | CRBNSMN1; SMN2RAB9AALDH1A1NPC1 | |
| SCHEMBL19986858 | 0.75 | ADRB1 (0.52) | RAB9AALDH1A1NPC1KDM4EHTR1A | |
| SCHEMBL10999156 | 0.71 | ADRB1 (0.56) | ALOX5SMN1; SMN2TOP2ATOP2BMAPT | |
| SCHEMBL21009009 | 0.71 | — | — | |
| SCHEMBL18583232 | 0.69 | HPGD (0.43) | SMN1; SMN2RAB9AALDH1A1NPC1PKM | |
| SCHEMBL20627373 | 0.69 | L3MBTL1 (0.35) | ALOX5TOP2ATOP2BGFERRAB9A | |
| SCHEMBL17468364 | 0.68 | CXCR4 (0.55) | SMN1; SMN2ALDH1A1KDM4EGAAPOLB | |
| SCHEMBL15196278 | 0.68 | L3MBTL1 (0.37) | ALOX5SMN1; SMN2TOP2ATOP2BGFER | |
| SCHEMBL3928664 | 0.68 | GFER (0.69) | SMN1; SMN2GFERALDH1A1PKMGAA | |
| SCHEMBL19563446 | 0.67 | HPGD (0.34) | SMN1; SMN2RAB9AALDH1A1NPC1KDM4E |
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-3012250-A1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2016-04-27 | — | — | EP | disclosed |