Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12605596 | 0.74 | ALDH1A1 (0.40) | CYP11B1CYP11B2CYP17A1ALDH1A1IDH1 | |
| SCHEMBL28196405 | 0.72 | CYP11B1 (0.53) | CYP11B1CYP11B2CYP17A1RAB9A | |
| SCHEMBL27498026 | 0.72 | AR (0.38) | ARCYP11B1CYP11B2CYP17A1ALDH1A1 | |
| SCHEMBL1126872 | 0.71 | CA12 (0.41) | CYP11B1CYP11B2CYP17A1ALDH1A1IDH1 | |
| SCHEMBL1126768 | 0.70 | HTR2A (0.41) | TSHR | |
| SCHEMBL22245577 | 0.69 | — | — | |
| SCHEMBL16867182 | 0.69 | IDH1 (0.36) | ARCYP11B1CYP11B2CYP17A1ALDH1A1 | |
| SCHEMBL1126991 | 0.69 | AKR1B1 (0.61) | ALDH1A1IDH1PTGS2KDM4ENPC1 | |
| SCHEMBL1127117 | 0.69 | KDM4E (0.39) | CYP11B1CYP11B2CYP17A1ALDH1A1IDH1 | |
| SCHEMBL23617959 | 0.68 | CYP2C19 (0.45) | ALDH1A1PTGS2KDM4E |
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-108329246-A | Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors | 阵列生物制药公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-105130967-B | Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors | 阵列生物制药公司 | 2018-04-17 | — | — | CN | disclosed |