Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 7/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | BPTF | Q12830 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14972580 | 0.80 | MEN1 (0.45) | ADRA2APOLBADRA2BADRA2CNPC1 | |
| SCHEMBL14972592 | 0.78 | METAP2 (0.40) | POLBNPC1RAB9AMEN1KMT2A | |
| SCHEMBL20378507 | 0.78 | MAPT (0.47) | POLBNPC1RAB9AMEN1KMT2A | |
| SCHEMBL21625850 | 0.78 | RAPGEF4 (0.47) | RAPGEF4EGFRADRA2AADRA2BADRA2C | |
| SCHEMBL14972513 | 0.76 | ALDH1A1 (0.45) | POLBMEN1KMT2AGAAHTT | |
| SCHEMBL14972869 | 0.76 | SMN1; SMN2 (0.46) | POLBMEN1KMT2AGAAHTT | |
| SCHEMBL15091053 | 0.76 | NPC1 (0.50) | RAPGEF4EGFRPOLBNPC1RAB9A | |
| SCHEMBL379238 | 0.75 | RAPGEF4 (0.63) | RAPGEF4EGFRADRA2APOLBADRA2B | |
| SCHEMBL25912039 | 0.75 | RAPGEF4 (0.58) | RAPGEF4EGFRADRA2APOLBADRA2B | |
| SCHEMBL3475441 | 0.74 | MAPK14 (0.57) | ADRA2AADRA2BADRA2CRAB9AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |