Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL29239679 | 0.80 | L3MBTL1 (0.36) | ALDH1A1MEN1TSHRKMT2ANFKB1 | |
| SCHEMBL27833367 | 0.78 | NFKB1 (0.37) | ALDH1A1MEN1TSHRKMT2ANFKB1 | |
| SCHEMBL29239760 | 0.77 | HRH3 (0.34) | ALDH1A1MEN1TSHRKMT2ANFKB1 | |
| SCHEMBL19784442 | 0.76 | HDAC6 (0.42) | ALDH1A1TSHRKMT2ACYP1A2HDAC6 | |
| SCHEMBL29285429 | 0.75 | CA14 (0.47) | ALDH1A1TSHRNFKB1NFKB2RELA | |
| SCHEMBL11031396 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MEN1TSHRKMT2AMAPT | |
| SCHEMBL14822004 | 0.74 | CYP1A2 (0.44) | ALDH1A1TSHRNFKB1NFKB2RELA | |
| SCHEMBL1771789 | 0.73 | BTK (0.37) | ALDH1A1MEN1TSHRKMT2ANFKB1 | |
| SCHEMBL28612600 | 0.72 | KMT2A (0.38) | ALDH1A1MEN1TSHRKMT2ANFKB1 | |
| SCHEMBL1296762 | 0.71 | ALDH1A1 (0.55) | ALDH1A1MEN1TSHRKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-113767103-A | Novel spirocyclic K-Ras G12C inhibitor | 微境生物医药科技(上海)有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-112390797-A | Novel spirocyclic K-Ras G12C inhibitor | 微境生物医药科技(上海)有限公司 | 2021-02-23 | — | — | CN | disclosed |