Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.60 |
| ▸ | POLB | P06746 | 7/20 | 0.60 |
| ▸ | MAPT | P10636 | 7/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | USP2 | O75604 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | RECQL | P46063 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955547 | 0.81 | ALDH1A1 (0.53) | ALDH1A1POLBMAPTTDP1KMT2A | |
| SCHEMBL2003566 | 0.79 | CHRM2 (0.52) | ALDH1A1POLBTDP1KMT2AUSP2 | |
| SCHEMBL12580051 | 0.78 | ALDH1A1 (0.65) | ALDH1A1POLBMAPTTDP1KMT2A | |
| SCHEMBL1999170 | 0.75 | CHRM2 (0.51) | ALDH1A1TDP1KMT2AUSP2L3MBTL1 | |
| SCHEMBL10410638 | 0.74 | ALDH1A1 (0.60) | ALDH1A1POLBMAPTTDP1KMT2A | |
| SCHEMBL10245401 | 0.74 | ALDH1A1 (0.60) | ALDH1A1POLBMAPTTDP1KMT2A | |
| SCHEMBL11041715 | 0.74 | ALDH1A1 (0.60) | ALDH1A1POLBMAPTTDP1KMT2A | |
| SCHEMBL140950 | 0.74 | TSHR (0.59) | ALDH1A1POLBMAPTTDP1KMT2A | |
| SCHEMBL29954227 | 0.74 | TSHR (0.49) | ALDH1A1POLBMAPTTDP1KMT2A | |
| SCHEMBL1303144 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019180207-A1 | TRAF 6 INHIBITORS | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2019-09-26 | — | — | WO | disclosed |