Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25212337 | 0.84 | CYP1A2 (0.48) | CYP1A2PKMALDH1A1TDP1CYP3A4 | |
| SCHEMBL22288212 | 0.82 | PKM (0.41) | PKMALDH1A1TDP1CYP3A4IMPDH2 | |
| SCHEMBL15357212 | 0.80 | CYP1A2 (0.45) | CYP1A2PKMALDH1A1TDP1GRIN2D | |
| SCHEMBL27224483 | 0.80 | PKM (0.42) | PKMALDH1A1TDP1CYP3A4GRIN2D | |
| SCHEMBL16625697 | 0.79 | CYP1A2 (0.41) | CYP1A2PKMALDH1A1TDP1CYP3A4 | |
| SCHEMBL16201559 | 0.78 | CYP1A2 (0.42) | CYP1A2PKMALDH1A1TDP1CYP3A4 | |
| SCHEMBL15357214 | 0.78 | CYP1A2 (0.47) | CYP1A2PKMALDH1A1TDP1CYP3A4 | |
| SCHEMBL29366803 | 0.78 | CYP1A2 (0.42) | CYP1A2PKMALDH1A1TDP1CYP3A4 | |
| SCHEMBL7592620 | 0.76 | TDP1 (0.50) | CYP1A2PKMALDH1A1TDP1GRIN2D | |
| SCHEMBL9514735 | 0.75 | PKM (0.42) | PKMALDH1A1TDP1CYP3A4IMPDH2 |
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-1748822-A1 | M-PHENYLENE DIAMINE COUPLING COMPONENTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005117819-A1 | M-PHENYLENE DIAMINE COUPLING COMPONENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2005-12-15 | — | — | WO | disclosed |