Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2760351 | 0.81 | ABCB11 (0.65) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL8402983 | 0.79 | ABCB11 (0.62) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL15774074 | 0.78 | ABCB11 (0.60) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL2739333 | 0.77 | ABCB11 (0.63) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL10493295 | 0.75 | ABCB11 (0.58) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL11488381 | 0.75 | ABCB11 (0.68) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL16744258 | 0.74 | ABCB11 (0.56) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL7674446 | 0.74 | PTGS2 (0.60) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| Zomepirac SCHEMBL11495798 | 0.74 | PTGS2 (1.00) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL10905829 | 0.74 | PTGS2 (0.80) | ABCB11PTGS2CYP1A2SMN1; SMN2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57002267-A | — | — | None | — | — | JP | disclosed |
| JP-S572267-A | 5-(4-CHLOROBENZOYL)-1,4-DIMETHYLPYRROLE-2- CARBOXYALDEHYDE AND MANUFACTURE | MCNEILAB INC | 1982-01-07 | — | — | JP | disclosed |