Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PAM | P19021 | 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 | |
|---|---|---|---|---|
| SCHEMBL162936 | 0.82 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2CES2 | |
| SCHEMBL2108708 | 0.81 | HDAC3 (0.49) | LMNANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL2705458 | 0.81 | HDAC3 (0.51) | LMNANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL4832150 | 0.81 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2CES2 | |
| SCHEMBL9416229 | 0.81 | CES2 (0.48) | CES2CES1PTPN1KMT2AMAPT | |
| SCHEMBL10428977 | 0.79 | PLK1 (0.44) | LMNANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL9416273 | 0.79 | KMT2A (0.39) | LMNANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL9416248 | 0.77 | RAB9A (0.47) | LMNANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL9416250 | 0.77 | MAPT (0.67) | ALDH1A1CES2CES1KMT2AMAPT | |
| SCHEMBL10793580 | 0.77 | MAPT (0.38) | LMNAALDH1A1KMT2AMAPTTSHR |
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-2014152453-A2 | CONTINUOUS FLOW SYNTHESIS OF DITHIOESTER COMPOUNDS | SIGMA-ALDRICH CO. LLC (US) | 2014-09-25 | — | — | WO | disclosed |
| EP-0601520-A1 | Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-4000147-A | ANTICONVULSANTS, CENTRAL NERVOUS SYSTEM DISORDERS | BASF AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |