Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30592000 | 1.00 | IDH1 (0.41) | IDH1ATRCYP1A2CYP1A1CYP1B1 | |
| SCHEMBL27718711 | 0.78 | GCGR (0.44) | CYP11B1CYP11B2MEN1KMT2ASLC6A2 | |
| SCHEMBL12934590 | 0.76 | CYP1A2 (0.49) | CYP1A2MEN1KMT2AMETAP2POLB | |
| SCHEMBL31011570 | 0.76 | IDH1 (0.45) | IDH1ATRCYP1A2DYRK1ACCNT1 | |
| SCHEMBL3600353 | 0.76 | IDH1 (0.45) | IDH1ATRCYP1A2DYRK1ACCNT1 | |
| SCHEMBL30592070 | 0.72 | TGFBR1 (0.38) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL22946177 | 0.72 | TGFBR1 (0.38) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL18075426 | 0.71 | BTK (0.43) | IDH1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL30626328 | 0.70 | TLR8 (0.49) | CYP1A2MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL19601141 | 0.70 | TLR8 (0.49) | CYP1A2MEN1KMT2AKDM4EALDH1A1 |
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-3768667-A1 | HETEROCYCLIC COMPOUNDS COMPRISING PYRIDINE USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES | Bristol-Myers Squibb Company (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019183186-A1 | HETEROCYCLIC COMPOUNDS COMPRISING PYRIDINE USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-09-26 | — | — | WO | disclosed |