Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | DUT | P33316 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21155621 | 0.84 | DUT (0.32) | CHRNB2CHRNA4CHRNB4CHRNA3DUT | |
| SCHEMBL3052574 | 0.81 | GBA1 (0.34) | DUTL3MBTL1 | |
| SCHEMBL25565603 | 0.79 | ALDH1A1 (0.50) | ALDH1A1ATMCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2169260 | 0.79 | ALDH1A1 (0.35) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL2880215 | 0.79 | DUT (0.35) | ALDH1A1DUTKDM4E | |
| SCHEMBL19214066 | 0.77 | CHRNB2 (0.34) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1896284 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL9180616 | 0.76 | CES2 (0.31) | — | |
| SCHEMBL14138540 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ATMCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL1317211 | 0.76 | ADRB2 (0.42) | ALDH1A1TSHRDUTSMN1; SMN2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393803-A1 | SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS | Grünenthal GmbH (DE) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010089084-A1 | SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS | Grünenthal GmbH (DE) | 2010-08-12 | — | — | WO | disclosed |