Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | UNG | P13051 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3946574 | 0.86 | MMP1 (0.40) | THRATHRBCA12CA1CA2 | |
| SCHEMBL977352 | 0.80 | CA12 (0.37) | ACLYTHRATHRBEPHX1EPHX2 | |
| SCHEMBL3939660 | 0.77 | CA12 (0.36) | ACLYTHRATHRBEPHX1EPHX2 | |
| SCHEMBL977960 | 0.73 | CA12 (0.37) | ACLYTHRATHRBEPHX1EPHX2 | |
| SCHEMBL979245 | 0.73 | AKT1 (0.41) | ACLYTHRATHRBCA12CA1 | |
| SCHEMBL12923335 | 0.73 | S1PR1 (0.41) | ACLYTHRATHRBEPHX1EPHX2 | |
| SCHEMBL978634 | 0.73 | HPGD (0.43) | ACLYTHRATHRBEPHX1EPHX2 | |
| SCHEMBL15623158 | 0.72 | DRD2 (0.44) | ACLYTHRATHRBCA12CA1 | |
| SCHEMBL12923378 | 0.71 | S1PR1 (0.44) | ACLYTHRATHRBEPHX1EPHX2 | |
| SCHEMBL978421 | 0.71 | S1PR4 (0.37) | ACLYEPHX1EPHX2CA12CA1 |
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-2009015485-A1 | CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2009-02-05 | — | — | WO | disclosed |