Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | ITK | Q08881 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2723178 | 0.99 | CASP3 (0.39) | CASP3SMN1; SMN2ALDH1A1NPSR1ATM | |
| SCHEMBL2722406 | 0.88 | CASP3 (0.40) | CASP3SMN1; SMN2ALDH1A1NPSR1ATM | |
| SCHEMBL2724597 | 0.86 | PKM (0.42) | CASP3SMN1; SMN2ALDH1A1NPSR1ATM | |
| SCHEMBL2721489 | 0.85 | CASP3 (0.41) | CASP3SMN1; SMN2ALDH1A1NPSR1ATM | |
| SCHEMBL2723562 | 0.83 | DRD2 (0.50) | ALDH1A1KDM4ERAB9ACA1CA2 | |
| SCHEMBL2724478 | 0.82 | LMNA (0.42) | CA1CA2CA4CA9ACACB | |
| SCHEMBL2721650 | 0.82 | DRD4 (0.42) | SMN1; SMN2ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL2721089 | 0.81 | ABCB1 (0.48) | ALDH1A1KDM4ECA1CA2POLB | |
| SCHEMBL2724116 | 0.81 | ALDH1A1 (0.40) | CASP3SMN1; SMN2ALDH1A1NPSR1ATM | |
| SCHEMBL6171960 | 0.80 | MAPT (0.51) | ALDH1A1KDM4ENPC1RAB9AMAPT |
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-2012054332-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |