Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 2/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1979039 | 0.87 | ALDH1A1 (0.47) | PIN1ALDH1A1TDP1HPGDEGFR | |
| SCHEMBL1979336 | 0.82 | NPC1 (0.44) | PIN1ALDH1A1HPGDEGFRKDM4E | |
| SCHEMBL1984450 | 0.77 | MERTK (0.38) | PIN1ALDH1A1TDP1HPGDMEN1 | |
| SCHEMBL1978964 | 0.77 | SCD (0.39) | PIN1ALDH1A1TDP1HPGDEGFR | |
| SCHEMBL10583683 | 0.70 | ALDH1A1 (0.65) | ALDH1A1TDP1HPGDMEN1KMT2A | |
| SCHEMBL1979322 | 0.68 | MERTK (0.47) | PIN1ALDH1A1TDP1HPGDKDM4E | |
| SCHEMBL10582382 | 0.67 | ALDH1A1 (0.59) | ALDH1A1TDP1HPGDMEN1KMT2A | |
| SCHEMBL15283821 | 0.66 | PDK1 (0.45) | PIN1TDP1EGFRMEN1KMT2A | |
| SCHEMBL27952716 | 0.64 | ALDH1A1 (0.63) | ALDH1A1TDP1HPGDKDM4EMEN1 | |
| SCHEMBL30991376 | 0.64 | ALDH1A1 (0.58) | PIN1ALDH1A1TDP1HPGDS100A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011070299-A1 | TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | WO | disclosed |