Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4613852 | 0.84 | ALDH1A1 (0.61) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL6624917 | 0.80 | MAPT (0.54) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL14871609 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL4615373 | 0.73 | MAPT (0.64) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL7050705 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| Sulfuric Acid SCHEMBL28557836 | 0.72 | MAPT (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL10390017 | 0.72 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL6265657 | 0.70 | KDM4E (0.47) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL11390187 | 0.70 | MAPT (0.57) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM | |
| SCHEMBL8388985 | 0.69 | INSR (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0567846-B1 | Cationic triazatrimethine dyes | BAYER AG (DE) | 1996-12-04 | — | — | EP | disclosed |
| EP-0567846-A1 | Cationic triazatrimethine dyes | BAYER AG (DE) | 1993-11-03 | — | — | EP | disclosed |
| EP-0567849-A1 | Process for preparing dyes | BAYER AG (DE) | 1993-11-03 | — | — | EP | disclosed |