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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL29189380 | 0.95 | SMN1; SMN2 (0.39) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL275279 | 0.81 | SMN1; SMN2 (0.48) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| Potassium Ion SCHEMBL9580669 | 0.75 | — | — | |
| SCHEMBL2727651 | 0.74 | SMN1; SMN2 (0.42) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL276322 | 0.74 | KMT2A (0.43) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL13718845 | 0.73 | MGAM (0.44) | SMN1; SMN2KMT2AALDH1A1CA1CA2 | |
| Potassium Ion SCHEMBL30620986 | 0.73 | PAM (0.33) | ALDH1A1 | |
| SCHEMBL2289696 | 0.72 | SMN1; SMN2 (0.40) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL5840367 | 0.72 | SMN1; SMN2 (0.40) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL9867193 | 0.70 | SMN1; SMN2 (0.39) | SMN1; SMN2CA14CA12KMT2AALDH1A1 |
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 |