Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPR1 | P16066 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24166553 | 0.72 | TP53 (0.48) | GSK3BRIPK1TP53CYP1A2CYP3A4 | |
| SCHEMBL313900 | 0.68 | HPGD (0.48) | CYP3A4TSHRHPGDALDH1A1 | |
| SCHEMBL8853356 | 0.65 | GSK3B (0.54) | GSK3BRAB9ATP53NOTUMALDH1A1 | |
| SCHEMBL315070 | 0.65 | ALDH1A1 (0.45) | GSK3BTP53NOTUMHPGDALDH1A1 | |
| SCHEMBL10353018 | 0.63 | GSK3B (0.55) | GSK3BTP53NOTUMHPGDALDH1A1 | |
| SCHEMBL314852 | 0.62 | ALDH1A1 (0.56) | CYP2C19CYP2C9NPC1RAB9ACYP1A2 | |
| SCHEMBL19918200 | 0.61 | THRB (0.64) | GSK3BTP53NOTUMNPSR1 | |
| SCHEMBL8989315 | 0.61 | RAB9A (0.49) | NPC1RAB9ATSHRTDP1HPGD | |
| SCHEMBL8853311 | 0.61 | GSK3B (0.68) | GSK3BTP53NOTUM | |
| SCHEMBL8853329 | 0.61 | GSK3B (0.68) | GSK3BTP53NOTUM |
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-2022005898-A1 | RIP1K INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2022-01-06 | — | — | WO | disclosed |