Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10809383 | 0.98 | THRA (0.44) | THRATHRBCYP2D6KCNH2ALDH1A1 | |
| SCHEMBL10811789 | 0.95 | THRA (0.45) | THRATHRBCYP2D6KCNH2GGPS1 | |
| SCHEMBL10811022 | 0.90 | CYP2D6 (0.44) | THRATHRBCYP2D6KCNH2ALDH1A1 | |
| SCHEMBL10808124 | 0.90 | CYP2D6 (0.44) | THRATHRBCYP2D6KCNH2ALDH1A1 | |
| SCHEMBL10808826 | 0.89 | THRA (0.43) | THRATHRBALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10810561 | 0.89 | THRA (0.43) | THRATHRBALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10811405 | 0.88 | CYP2D6 (0.43) | CYP2D6KCNH2ALDH1A1GGPS1KDM4E | |
| SCHEMBL10809261 | 0.88 | THRA (0.46) | THRATHRBCYP2D6KCNH2ALDH1A1 | |
| SCHEMBL10805938 | 0.88 | CYP2D6 (0.43) | CYP2D6KCNH2ALDH1A1GGPS1KDM4E | |
| SCHEMBL10808193 | 0.87 | THRA (0.43) | THRATHRBALDH1A1KDM4ESMN1; SMN2 |
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-4640913-A | Phosphocholine derivatives having antihypertensive action | AMERICAN CYANAMID COMPANY (US) | 1987-02-03 | — | — | US | disclosed |