Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25305491 | 1.00 | NOTUM (0.40) | NOTUMCYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL25307557 | 0.86 | CA1 (0.35) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL30475042 | 0.82 | NOTUM (0.34) | NOTUMNPSR1PTPN2ALDH1A1SOS1 | |
| SCHEMBL25299508 | 0.82 | NOTUM (0.34) | NOTUMNPSR1PTPN2ALDH1A1SOS1 | |
| SCHEMBL31214172 | 0.80 | NOTUM (0.43) | NOTUMNPSR1PTPN2ALDH1A1SOS1 | |
| SCHEMBL25304722 | 0.80 | ALDH1A1 (0.40) | CYP1A2NPSR1ALDH1A1CA1CA2 | |
| SCHEMBL30475022 | 0.80 | ALDH1A1 (0.40) | CYP1A2NPSR1ALDH1A1CA1CA2 | |
| SCHEMBL25263446 | 0.79 | CFTR (0.48) | NOTUMNPSR1PTPN2SOS1CFTR | |
| SCHEMBL30664857 | 0.79 | CFTR (0.48) | NOTUMNPSR1PTPN2SOS1CFTR | |
| SCHEMBL25305667 | 0.78 | SOS1 (0.45) | NOTUMCYP1A2PTPN2ALDH1A1SOS1 |
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-2023225252-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-11-23 | — | — | WO | disclosed |
| WO-2023133183-A1 | KRAS INHIBITORS | THERAS, INC. (US) | 2023-07-13 | — | — | WO | disclosed |