Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1503284 | 0.85 | KDM4E (0.62) | KDM4ENPSR1ALOX12HTTNPC1 | |
| SCHEMBL28805406 | 0.84 | KDM4E (0.41) | KDM4ENPSR1HTTMAPTCYP1A2 | |
| SCHEMBL18216628 | 0.83 | L3MBTL1 (0.55) | KDM4ENPSR1ALOX12HTTNPC1 | |
| SCHEMBL4053460 | 0.83 | PARP10 (0.46) | KDM4EHTTNPC1RAB9AMAPT | |
| SCHEMBL2516051 | 0.82 | KDM4E (0.49) | KDM4ENPSR1NPC1RAB9AMAPT | |
| SCHEMBL28001171 | 0.80 | KDM4E (0.50) | KDM4ENPSR1MAPTCYP1A2L3MBTL1 | |
| SCHEMBL4030545 | 0.79 | KDM4E (0.49) | KDM4ENPSR1MAPTCYP1A2L3MBTL1 | |
| SCHEMBL1503132 | 0.79 | KDM4E (0.49) | KDM4ENPSR1HTTNPC1RAB9A | |
| SCHEMBL3716799 | 0.78 | KDM4E (0.45) | KDM4ENPSR1MAPTCYP1A2L3MBTL1 | |
| SCHEMBL957004 | 0.77 | KDM4E (0.47) | KDM4ENPSR1HTTMAPTCYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2300433-A1 | HIV INTEGRASE INHIBITORS FROM PYRIDOXINE | Ambrilia Biopharma Inc. (CA) | 2011-03-30 | — | — | EP | claimed |
| WO-2009146555-A1 | HIV INTEGRASE INHIBITORS FROM PYRIDOXINE | AMBRILIA BIOPHARMA INC. (CA) | 2009-12-10 | — | — | WO | claimed |
| WO-2014120658-A1 | FUSED MULTICYCLIC 3-AMINO-5,6-DIHYDRO-2H-1,4-THIAZINE DERIVATIVES AND THEIR USE AS BETA-SECRETASE INHIBITORS | AMGEN INC. (US) | 2014-08-07 | — | — | WO | disclosed |
| US-8742123-B2 | HIV integrase inhibitors from pyridoxine | TAIMED BIOLOGICS, INC. (TW) | 2014-06-03 | — | — | US | disclosed |
| WO-2014059185-A1 | AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE | AMGEN INC. (US) | 2014-04-17 | — | — | WO | disclosed |
| CN-1043344-C | New heterocyclic compounds | KRONSEDER MASCHF KRONES (JP) | 1999-05-12 | — | — | CN | disclosed |