Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP4 | P49662 | 1/20 | 0.35 |
| ▸ | CASP5 | P51878 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25689687 | 0.95 | ALDH1A1 (0.37) | ALDH1A1POLBSMN1; SMN2MAPK1TSHR | |
| SCHEMBL3618906 | 0.80 | POLB (0.58) | ALDH1A1POLBMAPK1TSHRUSP2 | |
| SCHEMBL15722232 | 0.80 | HRH4 (0.50) | ALDH1A1MAPK1TSHRUSP2TDP1 | |
| SCHEMBL5102919 | 0.80 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TSHRHRH1USP2 | |
| SCHEMBL25686273 | 0.78 | POLB (0.37) | ALDH1A1POLBMAPK1TSHRKDM4E | |
| SCHEMBL3828569 | 0.77 | SMO (0.42) | POLBMAPK1KDM4E | |
| SCHEMBL27170756 | 0.77 | ACACB (0.39) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL24126297 | 0.76 | SIGMAR1 (0.46) | KDM4E | |
| SCHEMBL21589944 | 0.76 | ALDH1A1 (0.43) | ALDH1A1POLBSMN1; SMN2MAPK1TSHR | |
| SCHEMBL29656701 | 0.76 | ALDH1A1 (0.49) | ALDH1A1POLBSMN1; SMN2MAPK1TSHR |
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-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |