Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 4/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2329814 | 1.00 | ATM (0.55) | ATMHSP90AA1GAANPC1RAB9A | |
| Water SCHEMBL7994044 | 0.98 | ATM (0.53) | ATMHSP90AA1GAANPC1RAB9A | |
| SCHEMBL27759986 | 0.92 | ATM (0.49) | ATMHSP90AA1GAANPC1RAB9A | |
| SCHEMBL11361358 | 0.87 | SMN1; SMN2 (0.57) | GAANPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL2358014 | 0.85 | ATM (0.64) | ATMHSP90AA1GAANPC1RAB9A | |
| SCHEMBL6680719 | 0.84 | PGR (0.47) | ATMHSP90AA1GAANPC1RAB9A | |
| SCHEMBL11691009 | 0.82 | PARP10 (0.55) | HSP90AA1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL8311827 | 0.82 | ATM (0.56) | ATMHSP90AA1GAANPC1RAB9A | |
| SCHEMBL11650551 | 0.82 | PGR (0.48) | ATMHSP90AA1GAANPC1RAB9A | |
| SCHEMBL2861674 | 0.81 | ATM (0.60) | ATMHSP90AA1GAANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| JP-62016435-A | — | — | None | — | — | JP | disclosed |
| JP-S6216435-A | STEROSELECTIVE REARRANGEMENT AND REDUCTION OF ALPHA-HALOKETONE | TOYO SUTOUFUAA CHEM:KK | 1987-01-24 | — | — | JP | disclosed |