Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11111552 | 0.90 | GAA (0.36) | LMNAALDH1A1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL3929483 | 0.88 | CYP2D6 (0.35) | CYP1A2CYP2D6CYP2C19TSHRADRA1A | |
| SCHEMBL28139317 | 0.83 | EGLN1 (0.38) | LMNAALDH1A1HSD17B10CYP1A2TSHR | |
| SCHEMBL11115237 | 0.82 | TSHR (0.30) | TSHR | |
| SCHEMBL645284 | 0.82 | ALDH1A1 (0.36) | LMNAALDH1A1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL28422861 | 0.82 | ALDH1A1 (0.36) | LMNAALDH1A1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL28727529 | 0.81 | PAM (0.38) | ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL452971 | 0.80 | ALDH1A1 (0.34) | LMNAALDH1A1HSD17B10TSHRADRA1A | |
| SCHEMBL28291049 | 0.79 | ALOX15 (0.32) | HSD17B10 | |
| SCHEMBL2957096 | 0.78 | FFAR3 (0.31) | ALDH1A1CYP1A2FFAR3HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7060818-B2 | Synthesis of macrocyclic tetraamido compounds and new metal insertion process | CARNEGIE MELLON UNIVERSITY (US) | 2006-06-13 | — | — | US | disclosed |
| US-4428887-A | Method of producing mono-substituted terminal diesters | MONSANTO COMPANY (US) | 1984-01-31 | — | — | US | disclosed |