Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4886228 | 0.82 | NPC1 (0.51) | ALDH1A1TP53NPC1RAB9APOLB | |
| SCHEMBL11902032 | 0.82 | PTPN1 (0.56) | ALDH1A1TP53NPC1RAB9APOLB | |
| SCHEMBL1959876 | 0.82 | PTGS2 (0.48) | ALDH1A1TP53NPC1RAB9ATDP1 | |
| SCHEMBL11902664 | 0.82 | NPC1 (0.51) | ALDH1A1TP53NPC1RAB9APOLB | |
| SCHEMBL189929 | 0.81 | RAB9A (0.55) | ALDH1A1NPC1RAB9APOLBTDP1 | |
| SCHEMBL14138588 | 0.81 | HSD17B1 (0.56) | ALDH1A1TP53NPC1RAB9AHSD17B1 | |
| SCHEMBL27710152 | 0.78 | TAAR1 (0.41) | ALDH1A1TP53NPC1RAB9ATDP1 | |
| SCHEMBL1957272 | 0.78 | HPGD (0.59) | ALDH1A1TP53NPC1RAB9AKMT2A | |
| SCHEMBL8375802 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TP53NPC1RAB9APOLB | |
| SCHEMBL4135779 | 0.74 | ERN1 (0.41) | HDAC3HDAC1 |
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-2008079277-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |