Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8680535 | 0.94 | TDP1 (0.59) | TDP1RAB9AALDH1A1NPC1MAPT | |
| SCHEMBL5863155 | 0.86 | CA2 (0.66) | TDP1RAB9AALDH1A1NPC1MAPT | |
| SCHEMBL16351851 | 0.86 | CA2 (0.66) | TDP1RAB9AALDH1A1NPC1MAPT | |
| SCHEMBL17896517 | 0.86 | TDP1 (0.55) | TDP1RAB9AALDH1A1NPC1MAPT | |
| SCHEMBL14231643 | 0.85 | RAB9A (0.50) | TDP1RAB9AALDH1A1NPC1MAPT | |
| SCHEMBL6063284 | 0.83 | ESR1 (0.52) | TDP1RAB9AALDH1A1GAAKMT2A | |
| SCHEMBL13291808 | 0.83 | HSD17B1 (0.46) | TDP1RAB9AALDH1A1NPC1MAPT | |
| SCHEMBL13291802 | 0.83 | HSD17B2 (0.51) | TDP1RAB9ANPC1MAPTKDM4E | |
| SCHEMBL13291800 | 0.82 | KDM4E (0.66) | TDP1RAB9AALDH1A1NPC1MAPT | |
| SCHEMBL13291804 | 0.82 | KDM4E (0.43) | RAB9AALDH1A1NPC1MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7745424-B2 | Alkane diol derivatives as therapeutic agents for the treatment of bone conditions | The Univeristy Court of the University of Aberdeen (GB) | 2010-06-29 | — | — | US | disclosed |