Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 4/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12940274 | 0.77 | CRBN (0.40) | ALDH1A1KDM4EMEN1TP53CYP3A4 | |
| SCHEMBL7695970 | 0.68 | PNP (0.35) | ALDH1A1KDM4EMEN1TP53CYP3A4 | |
| SCHEMBL17368119 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 | |
| SCHEMBL21938541 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 | |
| SCHEMBL18660486 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 | |
| SCHEMBL23288110 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 | |
| SCHEMBL20056397 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 | |
| SCHEMBL2159722 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 | |
| SCHEMBL19129723 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 | |
| SCHEMBL7123996 | 0.65 | CA2 (0.41) | ALDH1A1ELANENPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2272839-A1 | Intermediate compounds for the preparation of halichondrin analogs | Eisai R&D Management Co., Ltd. (JP) | 2011-01-12 | — | — | EP | disclosed |