Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NAAA | Q02083 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL453054 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NAAAEPHX2ATMMEN1 | |
| SCHEMBL8633605 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NAAAEPHX2ATMMEN1 | |
| Hydrochloric Acid SCHEMBL28237612 | 0.98 | ALDH1A1 (0.49) | ALDH1A1NAAAEPHX2ATMMEN1 | |
| SCHEMBL187699 | 0.98 | ALDH1A1 (0.48) | ALDH1A1NAAAEPHX2ATMHPGD | |
| SCHEMBL2249573 | 0.94 | EPHX2 (0.50) | ALDH1A1NAAAEPHX2PRKCA | |
| SCHEMBL8694308 | 0.94 | EPHX2 (0.49) | ALDH1A1NAAAEPHX2ATMKMT2A | |
| SCHEMBL3294299 | 0.93 | EPHX2 (0.49) | ALDH1A1NAAAEPHX2PRKCA | |
| SCHEMBL21569213 | 0.93 | NAAA (0.51) | ALDH1A1NAAAEPHX2PRKCA | |
| SCHEMBL30977763 | 0.93 | NAAA (0.51) | ALDH1A1NAAAEPHX2PRKCA | |
| SCHEMBL5710073 | 0.93 | NAAA (0.51) | ALDH1A1NAAAEPHX2PRKCA |
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 |
|---|---|---|---|---|---|---|---|
| US-8088935-B2 | Compounds and methods for the treatment of asthma | IRONWOOD PHARMACEUTICALS, INC. (US) | 2012-01-03 | — | — | US | disclosed |