Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SELL | P14151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3638977 | 0.96 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13898799 | 0.91 | TPMT (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28928694 | 0.87 | TPMT (0.55) | KDM4ETDP1TPMTLMNAMAPT | |
| SCHEMBL30058440 | 0.87 | TPMT (0.55) | KDM4ETDP1TPMTLMNAMAPT | |
| SCHEMBL31646698 | 0.87 | POLB (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29130789 | 0.87 | TPMT (0.55) | KMT2AMEN1KDM4ETPMTALDH1A1 | |
| SCHEMBL27748215 | 0.87 | KMT2A (0.34) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13307499 | 0.86 | ALDH1A1 (0.37) | KMT2AMEN1TPMTALDH1A1HPGD | |
| SCHEMBL13898800 | 0.86 | KDM4E (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13307497 | 0.83 | CYP2C19 (0.53) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016144704-A2 | HETEROCYCLIC AUTOTAXIN INHIBITOR COMPOUNDS | PHARMAKEA, INC. (US) | 2016-09-15 | — | — | WO | disclosed |
| CN-101133029-A | Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK & CO INC (US) | 2008-02-27 | — | — | CN | disclosed |
| CN-1942457-A | 1,3, 5-substituted phenyl derivative compounds as beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK & CO INC (US) | 2007-04-04 | — | — | CN | disclosed |