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 | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL5469810 | 0.85 | CYP4F2 (0.44) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL6507050 | 0.72 | CYP4F2 (0.48) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL195662 | 0.72 | CYP4F2 (0.56) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL9416752 | 0.72 | CYP4F2 (0.44) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL788715 | 0.69 | ALDH1A1 (0.46) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL16301154 | 0.68 | CYP4F2 (0.41) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL10586858 | 0.68 | CYP4F2 (0.46) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL10422810 | 0.68 | ALDH1A1 (0.48) | CYP4F2CYP4A11ALDH1A1LMNACYP1A2 | |
| SCHEMBL1785998 | 0.68 | ALDH1A1 (0.50) | CYP4F2CYP4A11PKMMMP8ALDH1A1 | |
| SCHEMBL2036323 | 0.68 | ALDH1A1 (0.50) | CYP4F2CYP4A11PKMMMP8ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4990620-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4927938-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-22 | — | — | US | disclosed |
| US-4895950-A | 5-halogeno-6-amino-nicotinic acid halides | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-23 | — | — | US | disclosed |