Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.38 |
| ▸ | MEN1 | O00255 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1744815 | 0.79 | KDM4E (0.53) | PTGS2NPC1RAB9AHSD17B10KMT2A | |
| SCHEMBL19821774 | 0.69 | ALDH1A1 (0.36) | PTGS2NPC1RAB9AHSD17B10KMT2A | |
| SCHEMBL31146876 | 0.67 | GABRA1 (0.33) | NPC1RAB9AHSD17B10TSHRKMT2A | |
| SCHEMBL1742802 | 0.66 | CYP3A4 (0.44) | NPC1RAB9AHSD17B10KMT2AMEN1 | |
| SCHEMBL31709528 | 0.66 | CYP3A4 (0.44) | NPC1RAB9AHSD17B10KMT2AMEN1 | |
| SCHEMBL30015161 | 0.63 | KDM4E (0.60) | PKMHSD17B10TSHRKMT2AMEN1 | |
| SCHEMBL21721811 | 0.63 | KDM4E (0.60) | PKMHSD17B10TSHRKMT2AMEN1 | |
| SCHEMBL31146884 | 0.62 | KDM4E (0.38) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL31146894 | 0.61 | CYP1A2 (0.40) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7813652 | 0.61 | ALDH1A1 (0.46) | PTGS2NPC1RAB9APKMKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4680606-A1 | ADENINE DERIVATIVES AS HSP90 INHIBITORS | AtmosR (FR) | 2026-01-21 | — | — | EP | disclosed |
| WO-2024194175-A1 | ADENINE DERIVATIVES AS HSP90 INHIBITORS | ATMOSR (FR) | 2024-09-26 | — | — | WO | disclosed |