Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | IAPP | P10997 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4170437 | 0.95 | ALDH1A1 (0.40) | ALDH1A1TSHRIAPPHDAC3HDAC4 | |
| SCHEMBL10362176 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TSHRIAPPHTTSMN1; SMN2 | |
| SCHEMBL736098 | 0.83 | HDAC3 (0.52) | ALDH1A1TSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL7878183 | 0.83 | MPO (0.42) | ALDH1A1TSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL10449197 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TSHRIAPPHTTSMN1; SMN2 | |
| SCHEMBL10449018 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TSHRIAPPHTTSMN1; SMN2 | |
| SCHEMBL28372818 | 0.81 | TSHR (0.45) | ALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL23135892 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL7003873 | 0.77 | GPR84 (0.41) | GPR84 | |
| SCHEMBL1471746 | 0.76 | MAPT (0.55) | TSHRHDAC3HDAC4HDAC1HDAC7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0097881-B1 | SUBSTITUTED AZOLYL KETONES AND ALCOHOLS | BAYER AG (DE) | 1990-08-29 | — | — | EP | disclosed |
| US-4747869-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-31 | — | — | US | disclosed |
| EP-0097882-A2 | Keto-aldehyde derivatives and process for their preparation | BAYER AG (DE) | 1984-01-11 | — | — | EP | disclosed |