Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1644599 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL9420569 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL2557500 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL28347279 | 0.79 | TP53 (0.47) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL6304895 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL2144368 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL29051939 | 0.78 | CYSLTR2 (0.47) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL28068351 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL28428327 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP3A4ALOX15TDP1TP53 | |
| SCHEMBL27882095 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP3A4ALOX15TDP1TP53 |
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-114716453-A | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | 卫材R&D管理有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-109942560-B | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | 卫材R&D管理有限公司 | 2022-06-17 | — | — | CN | disclosed |