Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9770676 | 0.99 | ALDH1A1 (0.46) | ALDH1A1HTTTSHRCYP3A4LMNA | |
| SCHEMBL9770484 | 0.78 | BACE1 (0.39) | ATMKMT2AMEN1 | |
| SCHEMBL29019314 | 0.74 | ALDH1A1 (0.75) | ALDH1A1HTTTSHRCYP3A4LMNA | |
| SCHEMBL30305355 | 0.74 | ALDH1A1 (0.75) | ALDH1A1HTTTSHRCYP3A4LMNA | |
| SCHEMBL9770685 | 0.70 | MAPT (0.46) | ALDH1A1HTTSMN1; SMN2TP53MAPT | |
| SCHEMBL11853213 | 0.69 | CXCR4 (0.34) | ALDH1A1HTTTSHRCYP3A4LMNA | |
| SCHEMBL10357654 | 0.69 | CYP1A2 (0.51) | ALDH1A1HTTTSHRLMNASMN1; SMN2 | |
| SCHEMBL31174251 | 0.68 | MEN1 (0.48) | ALDH1A1HTTCYP1A2KMT2AMEN1 | |
| SCHEMBL20851571 | 0.68 | CXCR4 (0.37) | — | |
| SCHEMBL12346329 | 0.68 | CXCR4 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5001131-A | Pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1991-03-19 | — | — | US | disclosed |