Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 9/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.80 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | HTR1D | P28221 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4246330 | 0.93 | HTR1B (0.93) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4591063 | 0.91 | HTR1B (0.77) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4247675 | 0.89 | HTR1B (1.00) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4247047 | 0.89 | HTR1B (1.00) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4250244 | 0.88 | HTR1B (0.84) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4246714 | 0.87 | HTR1B (0.83) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL14525320 | 0.86 | HTR1B (0.60) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4252027 | 0.86 | HTR1B (0.81) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4246743 | 0.85 | HTR1B (0.80) | HTR1BKCNH2NFKB1NFKB2RELA | |
| SCHEMBL4246216 | 0.85 | HTR1B (0.80) | HTR1BKCNH2NFKB1NFKB2RELA |
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-1945624-A1 | CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS | Astra Zeneca AB (SE) | 2008-07-23 | — | — | EP | claimed |
| WO-2007053095-A1 | CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS | ASTRAZENECA AB (SE) | 2007-05-10 | — | — | WO | claimed |
| EP-1945624-A1 | CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS | Astra Zeneca AB (SE) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007053095-A1 | CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS | ASTRAZENECA AB (SE) | 2007-05-10 | — | — | WO | disclosed |