Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL28239399 | 0.88 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7601929 | 0.82 | PDK2 (0.37) | SIGMAR1CA12CA9GAAALDH1A1 | |
| SCHEMBL7603353 | 0.75 | NPC1 (0.46) | MAOAMAOB | |
| SCHEMBL30659806 | 0.75 | AKR1B1 (0.33) | HTR2C | |
| SCHEMBL15266966 | 0.72 | CA12 (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL869051 | 0.70 | IDO1 (0.34) | — | |
| SCHEMBL4420031 | 0.70 | RXRA (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4369386 | 0.70 | HIF1A (0.33) | GAAMAPTMAOA | |
| SCHEMBL30320303 | 0.70 | HIF1A (0.33) | GAAMAPTMAOA | |
| SCHEMBL10533866 | 0.70 | CA1 (0.42) | CA12CA1CA2CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265848-A2 | AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001070668-A2 | AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2001-09-27 | — | — | WO | disclosed |