Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2800431 | 1.00 | RAB9A (0.37) | RAB9ANPC1TP53SMN1; SMN2GRIN2B | |
| SCHEMBL27648867 | 0.87 | TACR1 (0.44) | RAB9ANPC1GRIN2BATMEPHX2 | |
| SCHEMBL3177278 | 0.87 | TACR1 (0.44) | RAB9ANPC1GRIN2BATMEPHX2 | |
| SCHEMBL3184361 | 0.87 | TACR1 (0.44) | RAB9ANPC1GRIN2BATMEPHX2 | |
| SCHEMBL5989023 | 0.87 | TACR1 (0.44) | RAB9ANPC1GRIN2BATMEPHX2 | |
| SCHEMBL3172844 | 0.87 | TACR1 (0.44) | RAB9ANPC1GRIN2BATMEPHX2 | |
| SCHEMBL3181798 | 0.87 | TACR1 (0.44) | RAB9ANPC1GRIN2BATMEPHX2 | |
| SCHEMBL3180166 | 0.87 | TACR1 (0.44) | RAB9ANPC1GRIN2BATMEPHX2 | |
| SCHEMBL705741 | 0.82 | HDAC4 (0.39) | SMN1; SMN2GRIN2BTSHRHDAC4 | |
| SCHEMBL13461072 | 0.82 | GPR119 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1898905-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007002457-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |