Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12441758 | 1.00 | CA1 (0.54) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL17489096 | 0.82 | CA2 (0.50) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL25797623 | 0.80 | CA2 (0.48) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL1204670 | 0.80 | CA1 (0.58) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL16797060 | 0.76 | CA1 (0.54) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL21066307 | 0.76 | CA1 (0.54) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL29822627 | 0.76 | CA2 (0.54) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL1400873 | 0.76 | CA2 (0.54) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL31705603 | 0.76 | CA1 (0.48) | CA1CA2ALDH1A1LMNAP4HTM | |
| SCHEMBL14345451 | 0.74 | CA1 (0.52) | CA1CA2ALDH1A1LMNAP4HTM |
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-2023240253-A2 | MODULATORS OF TNF-ALPHA ACTIVITY | FORWARD THERAPEUTICS, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023217201-A2 | NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF | 杭州德睿智药科技有限公司 | 2023-11-16 | — | — | WO | disclosed |