Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7678058 | 0.87 | HTT (0.40) | ALDH1A1HTTLMNAITGB1ITGA5 | |
| SCHEMBL8050588 | 0.85 | PTGS2 (0.55) | ABCB11PTGS2ALDH1A1LMNACYP1A2 | |
| SCHEMBL7677102 | 0.82 | PTGS2 (0.61) | ABCB11PTGS2ALDH1A1HTTLMNA | |
| SCHEMBL8048118 | 0.81 | PTGS2 (0.51) | ABCB11PTGS2ALDH1A1LMNACYP1A2 | |
| SCHEMBL11489904 | 0.76 | PTGS2 (0.70) | ABCB11PTGS2ALDH1A1HTTLMNA | |
| SCHEMBL11489903 | 0.70 | PTGS2 (0.65) | ABCB11PTGS2ALDH1A1HTTLMNA | |
| SCHEMBL10881479 | 0.70 | ABCB11 (0.46) | ABCB11PTGS2ALDH1A1HTTFFAR1 | |
| SCHEMBL7674493 | 0.70 | PTGS2 (0.77) | ABCB11PTGS2ALDH1A1LMNACYP1A2 | |
| SCHEMBL11812996 | 0.70 | ABCB11 (0.45) | ABCB11PTGS2ALDH1A1HTTLMNA | |
| SCHEMBL7677854 | 0.69 | ABCB11 (0.44) | ABCB11PTGS2ALDH1A1HTTLMNA |
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-5939417-A | 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | CELL PATHWAYS INC (US) | 1999-08-17 | — | — | US | disclosed |