Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PLCG2 | P16885 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7487865 | 0.85 | TDP1 (0.51) | ALDH1A1MAPTPOLBCASP6NPC1 | |
| SCHEMBL18740461 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPTPOLBNPC1RAB9A | |
| SCHEMBL8973925 | 0.81 | KMT2A (0.49) | ALDH1A1APEX1MAPK1TDP1 | |
| SCHEMBL8168105 | 0.76 | EGFR (0.59) | ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL3948505 | 0.75 | MAPT (0.51) | ALDH1A1MAPTAPEX1L3MBTL1TDP1 | |
| SCHEMBL6192945 | 0.74 | MAPT (0.61) | ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL1797099 | 0.74 | MAPT (0.61) | ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL11052022 | 0.74 | PTPN1 (0.58) | ALDH1A1POLBAPEX1CASP6TDP1 | |
| SCHEMBL20839720 | 0.73 | KMT2A (0.67) | ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL809030 | 0.73 | ALDH1A1 (0.60) | ALDH1A1MAPTPOLBNPC1RAB9A |
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 |