Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL826020 | 0.84 | KMT2A (0.53) | CA12CA1CA2CA7TPSAB1 | |
| SCHEMBL934531 | 0.82 | TRPV1 (0.54) | TPSAB1HPGDALDH1A1POLB | |
| SCHEMBL660986 | 0.82 | KMT2A (0.62) | HPGDALDH1A1LMNAPOLB | |
| SCHEMBL21648724 | 0.82 | EPHX2 (0.51) | TPSAB1HPGDALDH1A1HDAC1LMNA | |
| SCHEMBL13181415 | 0.82 | KMT2A (0.61) | TPSAB1HPGDALDH1A1HDAC1HDAC3 | |
| SCHEMBL13024401 | 0.82 | TPSAB1 (0.50) | CA1CA2TPSAB1HPGDALDH1A1 | |
| SCHEMBL10488216 | 0.82 | HPGD (0.71) | TPSAB1HPGDALDH1A1HDAC1LMNA | |
| SCHEMBL166076 | 0.81 | ACACB (0.56) | HPGDALDH1A1 | |
| SCHEMBL15651444 | 0.81 | PPID (0.54) | TPSAB1HPGDALDH1A1HDAC1 | |
| SCHEMBL14107294 | 0.81 | TPSAB1 (0.48) | TPSAB1HPGDALDH1A1HDAC1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011037833-A2 | NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-03-31 | — | — | WO | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |