Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5219306 | 0.99 | ATM (0.49) | ATMALDH1A1MAPTLMNATSHR | |
| Hydrochloric Acid SCHEMBL5307392 | 0.85 | HTT (0.45) | ALDH1A1MAPTLMNATSHRMAPK1 | |
| SCHEMBL29691445 | 0.82 | LTA4H (0.63) | ATMALDH1A1MAPTHDAC1HDAC6 | |
| SCHEMBL7802228 | 0.82 | LTA4H (0.63) | ATMALDH1A1MAPTHDAC1HDAC6 | |
| SCHEMBL7225284 | 0.75 | HTT (0.41) | ALDH1A1MAPTLMNAMAPK1GAA | |
| SCHEMBL5216771 | 0.72 | HTT (0.52) | MAPTLMNATSHRMAPK1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5220509 | 0.72 | HDAC3 (0.47) | ATMALDH1A1MAPTLMNAHDAC3 | |
| SCHEMBL10487075 | 0.72 | ALDH1A1 (0.53) | ATMALDH1A1HDAC1HDAC6KMT2A | |
| SCHEMBL18228619 | 0.71 | ALDH1A1 (0.49) | ALDH1A1LMNATSHRSMN1; SMN2HDAC1 | |
| SCHEMBL5219619 | 0.71 | ALDH1A1 (0.49) | ALDH1A1LMNATSHRMAPK1SMN1; SMN2 |
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-1458386-B1 | AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER | ORTHO MCNEIL PHARM INC (US) | 2007-04-18 | — | — | EP | claimed |