Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30111551 | 1.00 | MEN1 (0.33) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL3724107 | 0.81 | CA14 (0.39) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL29359929 | 0.81 | CA1 (0.32) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL3724110 | 0.81 | CA14 (0.39) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL27985727 | 0.79 | CA12 (0.38) | CA1CA2CA7 | |
| SCHEMBL29463474 | 0.79 | MEN1 (0.34) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL28941238 | 0.79 | MEN1 (0.34) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL2499624 | 0.79 | KMT2A (0.34) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL11106058 | 0.79 | MEN1 (0.34) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL342692 | 0.78 | AAK1 (0.33) | MEN1GAAKMT2AHDAC6HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3054951-A1 | INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) | Millennium Pharmaceuticals, Inc. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054132-A1 | INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-04-16 | — | — | WO | disclosed |