Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 8/20 | 0.61 |
| ▸ | APP | P05067 | 6/20 | 0.59 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.52 |
| ▸ | TLR2 | O60603 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL18614324 | 1.00 | NPC1 (0.61) | NPC1RAB9ATDP1MAOBAPP | |
| SCHEMBL15421528 | 0.82 | MAOB (0.62) | RAB9AMAOBSMPD1BCHE | |
| SCHEMBL15421526 | 0.82 | MAOB (0.62) | RAB9AMAOBSMPD1BCHE | |
| SCHEMBL4700934 | 0.81 | APP (0.68) | NPC1RAB9ATDP1MAOBAPP | |
| SCHEMBL12183014 | 0.81 | MAOB (0.73) | NPC1RAB9ATDP1MAOBAPP | |
| SCHEMBL9795738 | 0.80 | MAOB (0.70) | NPC1RAB9ATDP1MAOBAPP | |
| SCHEMBL28075228 | 0.80 | MAOB (0.75) | NPC1RAB9ATDP1MAOBAPP | |
| SCHEMBL10820376 | 0.80 | MAOB (0.67) | NPC1RAB9ATDP1MAOBAPP | |
| SCHEMBL13462938 | 0.80 | MAOB (0.65) | NPC1RAB9ATDP1MAOBAPP | |
| SCHEMBL9189685 | 0.80 | NPC1 (0.57) | NPC1RAB9ATDP1MAOBAPP |
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-2017075052-A1 | USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES | DELMAR PHARMACEUTICALS, INC. (CA) | 2017-05-04 | — | — | WO | disclosed |
| WO-2017042634-A2 | USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE | DEL MAR PHARMACEUTICALS (CA) | 2017-03-16 | — | — | WO | disclosed |