Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.35 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL15339580 | 0.81 | HTR1A (0.41) | BACE1CA12CA1CA2CA4 | |
| SCHEMBL21132537 | 0.77 | KRAS (0.34) | PDK2 | |
| SCHEMBL24343563 | 0.73 | — | — | |
| SCHEMBL23344916 | 0.72 | SOS1 (0.41) | CA1CA2LMNACYP3A4HPGD | |
| SCHEMBL23995719 | 0.72 | PTGS2 (0.40) | CA2 | |
| SCHEMBL22827426 | 0.72 | PDK2 (0.37) | PDK2SIGMAR1HTR1A | |
| SCHEMBL25020192 | 0.72 | KRAS (0.30) | — | |
| SCHEMBL11874054 | 0.71 | CTNNB1 (0.39) | HTR1A | |
| SCHEMBL20480650 | 0.70 | CA12 (0.38) | BACE1CA12CA1CA2CA7 | |
| SCHEMBL21132431 | 0.70 | SOS1 (0.39) | ALDH1A1LMNACYP3A4 |
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-4219493-A1 | BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2023-08-02 | — | — | EP | disclosed |
| EP-3728254-B1 | BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2023-02-15 | — | — | EP | disclosed |