Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2532482 | 0.93 | NAAA (0.35) | ALDH1A1CHRNB2CHRNA4ESR1NAAA | |
| SCHEMBL2530960 | 0.91 | NAAA (0.39) | ALDH1A1ESR1NAAATSHREPHX1 | |
| SCHEMBL2531107 | 0.91 | NAAA (0.39) | ALDH1A1ESR1NAAATSHREPHX1 | |
| SCHEMBL9480850 | 0.87 | ALDH1A1 (0.40) | ALDH1A1ATMNAAAHPGDTSHR | |
| SCHEMBL8421539 | 0.84 | NAAA (0.44) | ALDH1A1NAAATSHREPHX1 | |
| SCHEMBL2530752 | 0.84 | — | — | |
| SCHEMBL27982814 | 0.84 | NAAA (0.44) | ALDH1A1NAAATSHREPHX1 | |
| Ethylene Glycol Diisobutanoate SCHEMBL843146 | 0.81 | TSHR (0.36) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL8036146 | 0.80 | ALDH1A1 (0.36) | ALDH1A1ATMNAAAHPGDTSHR | |
| SCHEMBL2529912 | 0.80 | ACHE (0.37) | ALDH1A1CHRNB2CHRNA4ATMCHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| US-6288061-B1 | INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS | WELFIDE CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |