Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL26567445 | 0.79 | NPSR1 (0.36) | ALDH1A1NPSR1TSHRKDM4EFDPS | |
| SCHEMBL3258611 | 0.77 | KMT2A (0.37) | ALDH1A1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL29576635 | 0.72 | — | — | |
| SCHEMBL305358 | 0.72 | — | — | |
| SCHEMBL730405 | 0.72 | CCR1 (0.42) | ALDH1A1TSHRKDM4EFDPSPTGS2 | |
| SCHEMBL29387096 | 0.72 | CCR1 (0.42) | ALDH1A1TSHRKDM4EFDPSPTGS2 | |
| Hydrochloric Acid SCHEMBL29955353 | 0.71 | UHRF1 (0.48) | ALDH1A1TSHRKDM4EFDPSPTGS2 | |
| SCHEMBL23048583 | 0.70 | WNT1 (0.41) | ALDH1A1MAPTHPGD | |
| SCHEMBL986987 | 0.70 | ALDH1A1 (0.38) | ALDH1A1TSHRKDM4EFDPSPTGS2 | |
| SCHEMBL31214385 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117865952-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-114072404-B | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2023-09-15 | — | — | CN | disclosed |
| CN-114072404-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-112442028-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)有限公司 | 2021-03-05 | — | — | CN | disclosed |