Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7943757 | 0.84 | CYP2A6 (0.39) | MAOACYP2A6MAOBNPC1RAB9A | |
| SCHEMBL5315114 | 0.73 | CRBN (0.52) | NPC1RAB9AGAANOTUMMAPT | |
| Acetohydroxamic Acid SCHEMBL28410021 | 0.72 | MAOA (0.70) | MAOACYP2A6MAOBNPC1RAB9A | |
| SCHEMBL5316826 | 0.70 | MTNR1A (0.41) | NPC1RAB9AGAANOTUMSMN1; SMN2 | |
| SCHEMBL15520897 | 0.70 | CYP2A6 (0.43) | MAOACYP2A6MAOBGAALMNA | |
| SCHEMBL15520895 | 0.70 | CYP2A6 (0.43) | MAOACYP2A6MAOBGAALMNA | |
| Acetic Acid SCHEMBL817975 | 0.68 | TSHR (0.57) | MAOACYP2A6MAOBNPC1RAB9A | |
| SCHEMBL4372664 | 0.68 | CYP2A6 (0.41) | MAOACYP2A6MAOBNPC1RAB9A | |
| SCHEMBL4372666 | 0.68 | CYP2A6 (0.41) | MAOACYP2A6MAOBNPC1RAB9A | |
| SCHEMBL30505637 | 0.67 | CYP2A6 (0.68) | MAOACYP2A6MAOBNOTUMMAPT |
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-6235789-B1 | GLANDULAR DISORDERS; SLEEP DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-0781271-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1997-07-02 | — | — | EP | disclosed |
| WO-1996008466-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-21 | — | — | WO | disclosed |