Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.31 |
| ▸ | FABP2 | P12104 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27605507 | 0.86 | SHBG (0.33) | SHBGCHRM3TYRDPP4 | |
| SCHEMBL27530985 | 0.83 | ALOX15 (0.34) | AKR1C3AKR1C2TYR | |
| SCHEMBL11951576 | 0.81 | LMNA (0.38) | SHBGPTGS2PTGS1MEN1KMT2A | |
| SCHEMBL6180857 | 0.81 | SHBG (0.39) | SHBGAKR1C3AKR1C2 | |
| SCHEMBL27605597 | 0.79 | SHBG (0.35) | SHBG | |
| SCHEMBL18942465 | 0.78 | AKR1C3 (0.45) | PTGS2PTGS1MEN1KMT2AAKR1C3 | |
| SCHEMBL16959739 | 0.78 | SHBG (0.35) | SHBGPTGS2PTGS1MEN1KMT2A | |
| SCHEMBL27654459 | 0.77 | ALOX15 (0.34) | AKR1C3AKR1C2TSHRCYP1A2PSEN1 | |
| SCHEMBL27753244 | 0.76 | APP (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL10270727 | 0.76 | ALDH1A1 (0.42) | SHBGPTGS2PTGS1MEN1KMT2A |
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-100400041-C | Diaminothiazoles useful as selective inhibitors of CDK4 | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | CN | disclosed |
| CN-1652780-A | Diaminothiazoles used as CDK4 inhibitors | HOFFMANN LA ROCHE (CH) | 2005-08-10 | — | — | CN | disclosed |