Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PER2 | O15055 | 1/20 | 0.38 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787017 | 0.89 | TSHR (0.48) | TSHRPIK3CDKDM4EAPEX1BLM | |
| SCHEMBL1027508 | 0.83 | PIK3CD (0.53) | TSHRPIK3CDPER2CRY2GRM2 | |
| SCHEMBL11983365 | 0.81 | PIK3CD (0.56) | TSHRPIK3CDPER2CRY2GRM2 | |
| SCHEMBL24534990 | 0.77 | PIK3CD (0.51) | TSHRPIK3CDKDM4EPER2CRY2 | |
| SCHEMBL1713190 | 0.73 | PIK3CD (0.55) | PIK3CDKDM4EBLMPER2CRY2 | |
| SCHEMBL21384248 | 0.73 | PIK3CD (0.55) | PIK3CDKDM4EPER2CRY2GRM2 | |
| SCHEMBL15125171 | 0.73 | PIK3CD (0.42) | PIK3CDKDM4EPER2CRY2NAAA | |
| SCHEMBL17662301 | 0.73 | PIK3CD (0.50) | TSHRPIK3CDKDM4EAPEX1PER2 | |
| SCHEMBL6360878 | 0.72 | — | — | |
| SCHEMBL908640 | 0.71 | HSD17B10 (0.41) | PIK3CDKDM4ENAAA |
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-4263526-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE | Pfizer Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| WO-2022130171-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE | PFIZER INC. (US) | 2022-06-23 | — | — | WO | disclosed |