Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL13519732 | 1.00 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL17574398 | 0.89 | ACACB (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL28173828 | 0.89 | ACACB (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL9214882 | 0.88 | KDM4E (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL9223545 | 0.88 | KDM4E (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL9214872 | 0.88 | KDM4E (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL9073870 | 0.88 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL17574380 | 0.88 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL7299678 | 0.88 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL2082768 | 0.84 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHREPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8476285-B2 | Purine-core inhibitors of HSP90 and their use in treating cancer | MYREXIS, INC. (US) | 2013-07-02 | — | — | US | disclosed |