Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16672925 | 0.88 | NPC1 (0.50) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL16672553 | 0.85 | ESR1 (0.49) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL16673043 | 0.81 | ESR1 (0.50) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL16672820 | 0.79 | ESR1 (0.49) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL9989137 | 0.79 | LMNA (0.43) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL28485648 | 0.78 | KMT2A (0.57) | ESR1ESR2RAB9AKMT2AHPGD | |
| SCHEMBL5157613 | 0.77 | TSHR (0.52) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL16672527 | 0.77 | MAPT (0.56) | ESR1ESR2KMT2AMAPTNPSR1 | |
| SCHEMBL16672894 | 0.76 | ESR1 (0.46) | ESR1ESR2NPC1RAB9AKMT2A | |
| SCHEMBL28731362 | 0.76 | KMT2A (0.67) | ESR1ESR2NPC1RAB9AKMT2A |
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-2011161615-A1 | 5-LIPOXYGENASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-29 | — | — | WO | disclosed |