Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 SCHEMBL17261481 | 0.84 | TAAR1 (0.71) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| SCHEMBL5658820 | 0.76 | LOXL2 (1.00) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| SCHEMBL3919224 | 0.75 | TSHR (0.62) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL7504450 | 0.74 | TAAR1 (1.00) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL17261468 | 0.74 | TAAR1 (1.00) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| SCHEMBL14133319 | 0.74 | ALDH1A1 (0.64) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| SCHEMBL3701935 | 0.74 | LTA4H (0.65) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| SCHEMBL2226129 | 0.73 | LOXL2 (0.81) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| SCHEMBL2226861 | 0.73 | LOXL2 (0.50) | LOXL2TAAR1ALDH1A1MAPTMEN1 | |
| SCHEMBL2228438 | 0.73 | LOXL2 (0.50) | LOXL2TAAR1ALDH1A1MAPTMEN1 |
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-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |