Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | THRA | P10827 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.48 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11730534 | 0.89 | THRA (0.60) | ALDH1A1MAPTKMT2ATHRATHRB | |
| SCHEMBL9360237 | 0.86 | BCHE (0.61) | THRATHRBKDM4ESMN1; SMN2BCHE | |
| SCHEMBL9360046 | 0.86 | BCHE (0.58) | THRATHRBKDM4ESMN1; SMN2BCHE | |
| SCHEMBL9360948 | 0.83 | THRA (0.67) | ALDH1A1MAPTKMT2ATHRATHRB | |
| SCHEMBL9365125 | 0.82 | ALDH1A1 (0.62) | ALDH1A1MAPTKMT2ATHRATHRB | |
| SCHEMBL11258532 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8705220 | 0.78 | ESR1 (0.66) | ALDH1A1MAPTKMT2ATHRATHRB | |
| SCHEMBL26731059 | 0.78 | KDM4E (0.62) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL9526431 | 0.77 | NR4A2 (0.69) | KMT2ASMN1; SMN2BCHELTB4RLTB4R2 | |
| SCHEMBL25495948 | 0.77 | KDM4E (0.56) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 |
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-3066649-A | — | — | None | — | — | JP | disclosed |
| JP-H0366649-A | BENZOPHENONE DERIVATIVE | F HOFFMANN LA ROCHE AG | 1991-03-22 | — | — | JP | disclosed |