Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | DHODH | Q02127 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15905447 | 0.91 | GAA (0.45) | MAPTDHODHSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL15904893 | 0.90 | GAA (0.44) | MAPTDHODHSMN1; SMN2MEN1KMT2A | |
| SCHEMBL17327503 | 0.90 | MAPT (0.38) | MAPTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL15919270 | 0.87 | ACACB (0.42) | MAPTSMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL17323668 | 0.78 | PLA2G2A (0.47) | MAPTDHODHCYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL15919268 | 0.78 | SMN1; SMN2 (0.45) | DHODHCYP1A2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL15919454 | 0.78 | SMN1; SMN2 (0.57) | MAPTDHODHCYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL15919455 | 0.77 | SMN1; SMN2 (0.56) | DHODHCYP1A2SMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL15919272 | 0.77 | PLA2G2A (0.46) | MAPTDHODHCYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL15905018 | 0.76 | ALDH1A1 (0.43) | MAPTCYP1A2SMN1; SMN2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014117090-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-07-31 | — | — | WO | disclosed |