Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HMGCR | P04035 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28783326 | 0.88 | HMGCR (0.45) | HSP90AB1POLBNPC1RAB9AKMT2A | |
| SCHEMBL28175829 | 0.84 | PDE2A (0.43) | HSP90AB1POLBHDAC3HDAC1HDAC2 | |
| SCHEMBL27719541 | 0.83 | THRB (0.45) | HSP90AB1POLBNPC1RAB9AKMT2A | |
| SCHEMBL2325383 | 0.82 | ALDH1A1 (0.64) | NPC1RAB9AMAPTHSD17B10ALDH1A1 | |
| SCHEMBL12780426 | 0.81 | FFAR4 (0.44) | POLBHDAC3HDAC1HDAC2 | |
| SCHEMBL24436789 | 0.81 | CA12 (0.64) | NPC1RAB9ATP53HSD17B10LMNA | |
| SCHEMBL28836960 | 0.81 | THRA (0.44) | HSP90AB1POLBKMT2AHDAC3HDAC1 | |
| SCHEMBL2260356 | 0.80 | NPC1 (0.68) | HSP90AB1POLBNPC1RAB9AKMT2A | |
| SCHEMBL38652178 | 0.80 | NPC1 (0.68) | HSP90AB1POLBNPC1RAB9AKMT2A | |
| SCHEMBL30769853 | 0.80 | ALDH1A1 (0.55) | NPC1RAB9AMAPTALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102245587-A | Trpv1 antagonists | ABBOTT LAB | 2011-11-16 | — | — | CN | disclosed |
| CN-102186836-A | Trpv1 antagonists | ABBOTT LAB | 2011-09-14 | — | — | CN | disclosed |