Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7288565 | 0.94 | ALDH1A1 (0.44) | ALDH1A1ALDH2ALDH3A1TSHRADRA1D | |
| SCHEMBL7288613 | 0.93 | ALDH1A1 (0.41) | ALDH1A1ALDH2ALDH3A1PKMTSHR | |
| Hydrochloric Acid SCHEMBL7280882 | 0.92 | ALDH1A1 (0.40) | ALDH1A1ALDH2ALDH3A1PKMTSHR | |
| SCHEMBL7278698 | 0.86 | ALDH1A1 (0.45) | ALDH1A1ALDH2ALDH3A1TSHRADRA1D | |
| Hydrochloric Acid SCHEMBL7288578 | 0.85 | ALDH1A1 (0.44) | ALDH1A1ALDH2ALDH3A1TSHRADRA1D | |
| SCHEMBL7288360 | 0.81 | MEN1 (0.46) | ALDH1A1ALDH2ALDH3A1TSHRNPC1 | |
| Hydrochloric Acid SCHEMBL7291591 | 0.79 | HTR3A (0.53) | TDP1 | |
| SCHEMBL7287339 | 0.79 | TSHR (0.44) | ALDH1A1TSHRGSK3BMEN1KMT2A | |
| SCHEMBL7288491 | 0.78 | MEN1 (0.44) | ALDH1A1TSHRGSK3BMEN1KMT2A | |
| SCHEMBL7281531 | 0.77 | MEN1 (0.44) | ALDH1A1MEN1KMT2AKDM4EGAA |
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-0313393-B1 | Benzoxazine compounds and pharmaceutical use thereof | YOSHITOMI PHARMACEUTICAL (JP) | 1994-03-16 | — | — | EP | disclosed |
| US-4892872-A | ANTIEMETICS, ANTINAUSEA | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-01-09 | — | — | US | disclosed |