Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.42 |
| ▸ | FOS | P01100 | 1/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30842447 | 0.84 | THRB (0.48) | TTRFOSJUNNR3C1HSD17B1 | |
| SCHEMBL16953889 | 0.84 | THRB (0.48) | TTRFOSJUNNR3C1HSD17B1 | |
| SCHEMBL18924620 | 0.83 | KDM4E (0.42) | TTRFOSJUNNR3C1HSD17B1 | |
| SCHEMBL12961032 | 0.83 | ATM (0.42) | CYP3A4NPC1POLBRAB9ATSHR | |
| SCHEMBL25687627 | 0.80 | ALDH1A1 (0.61) | CYP3A4NPC1RAB9AALOX15ALOX12 | |
| SCHEMBL26085067 | 0.79 | MAOB (0.50) | CYP3A4RORCACHETSHR | |
| SCHEMBL19592311 | 0.77 | TSHR (0.41) | ALOX15THRBRORCTSHR | |
| SCHEMBL10172021 | 0.77 | CA12 (0.50) | CYP3A4CA2ACHE | |
| SCHEMBL11437277 | 0.77 | CA12 (0.50) | CYP3A4CA2ACHE | |
| SCHEMBL12606793 | 0.77 | CA12 (0.50) | CYP3A4CA2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-3459942-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2020-12-30 | — | — | EP | disclosed |