Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1688815 | 0.91 | POLB (0.47) | CTNNB1TCF7L2POLBMAPTALDH1A1 | |
| SCHEMBL1039226 | 0.85 | MAPT (0.47) | POLBMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL1433633 | 0.84 | IDH1 (0.47) | POLBMAPTMEN1KMT2ANPC1 | |
| SCHEMBL3170135 | 0.84 | PTPN1 (0.49) | CTNNB1TCF7L2MAPTSMN1; SMN2NPC1 | |
| SCHEMBL9135786 | 0.83 | MAPT (0.52) | POLBMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL5807704 | 0.83 | POLB (0.42) | CTNNB1TCF7L2POLBMAPTALDH1A1 | |
| SCHEMBL8299387 | 0.83 | FPR2 (0.47) | POLBMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL303932 | 0.83 | PKM (0.46) | CTNNB1TCF7L2POLBMAPTALDH1A1 | |
| SCHEMBL9891433 | 0.83 | HDAC8 (0.42) | CTNNB1TCF7L2POLBMAPTALDH1A1 | |
| SCHEMBL4142658 | 0.82 | ALDH1A1 (0.51) | POLBMAPTALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017063755-A1 | CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-04-20 | — | — | WO | disclosed |
| WO-2017063754-A1 | CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS AS PIN1 MODULATORS | POLYPHOR AG (CH) | 2017-04-20 | — | — | WO | disclosed |