Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | GAA | P10253 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ERN1 | O75460 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL562147 | 0.84 | ERN1 (0.63) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL21729821 | 0.80 | PTGS2 (0.57) | ALDH1A1GAAMAPTLMNACYP3A4 | |
| SCHEMBL10053939 | 0.79 | SELL (0.62) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL14390273 | 0.78 | ABL1 (0.55) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL29913371 | 0.78 | ABL1 (0.55) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL14163474 | 0.78 | ALDH1A1 (0.75) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL7520392 | 0.77 | ERN1 (0.57) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL16372539 | 0.77 | ALDH1A1 (0.56) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL678214 | 0.77 | ERN1 (0.57) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL4730926 | 0.77 | ALDH1A1 (0.56) | ALDH1A1GAAMAPTKDM4ELMNA |
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-3202765-A1 | POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR | Xuanzhu Pharma Co., Ltd. (CN) | 2017-08-09 | — | — | EP | disclosed |