Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL45520 | 0.86 | CYP1A2 (0.56) | KCNN4CES1MAPTCYP1A2KMT2A | |
| Acetic Acid SCHEMBL28104273 | 0.84 | KCNN4 (0.56) | KCNN4CES2CES1MAPTCYP1A2 | |
| SCHEMBL28690553 | 0.84 | SMN1; SMN2 (0.48) | KCNN4KIF11SMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL11522471 | 0.84 | CYP1A2 (0.54) | KCNN4CES1MAPTCYP1A2KMT2A | |
| SCHEMBL10909643 | 0.84 | CYP1A2 (0.54) | KCNN4CES1MAPTCYP1A2KMT2A | |
| SCHEMBL29282850 | 0.84 | CYP1A2 (0.54) | KCNN4CES1MAPTCYP1A2KMT2A | |
| SCHEMBL10403424 | 0.84 | CYP1A2 (0.54) | KCNN4CES1MAPTCYP1A2KMT2A | |
| SCHEMBL29559623 | 0.84 | CYP1A2 (0.54) | KCNN4CES1MAPTCYP1A2KMT2A | |
| SCHEMBL7880822 | 0.84 | CYP1A2 (0.54) | KCNN4CES1MAPTCYP1A2KMT2A | |
| SCHEMBL30541207 | 0.84 | CYP1A2 (0.54) | KCNN4CES1MAPTCYP1A2KMT2A |
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-5274104-A | N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders | ELF SANOFI, A FRENCH CORP. (FR) | 1993-12-28 | — | — | US | disclosed |