Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 7/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18892410 | 0.92 | NPC1 (0.52) | NPC1RAB9AACHETAAR1CNR1 | |
| SCHEMBL8197902 | 0.87 | CYP1A2 (0.51) | NPC1RAB9ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8545228 | 0.87 | HDAC3 (0.56) | NPC1RAB9ATAAR1CNR1HDAC3 | |
| SCHEMBL8552292 | 0.86 | SPR (0.56) | NPC1RAB9AACHEHDAC3HDAC4 | |
| SCHEMBL16294070 | 0.85 | TAAR1 (0.49) | NPC1RAB9ATAAR1CNR1HDAC3 | |
| SCHEMBL8276051 | 0.85 | EPHX2 (0.58) | TAAR1CNR1MEN1KMT2A | |
| SCHEMBL8585756 | 0.84 | KMT2A (0.56) | NPC1RAB9AACHEHDAC3HDAC4 | |
| SCHEMBL5110887 | 0.84 | NPC1 (0.63) | NPC1RAB9AACHETAAR1HDAC3 | |
| SCHEMBL18892533 | 0.84 | TAAR1 (0.48) | NPC1RAB9ATAAR1CNR1HDAC3 | |
| SCHEMBL2016946 | 0.82 | TAAR1 (0.58) | NPC1RAB9ATAAR1CNR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1794135-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006037117-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| EP-0979227-A1 | 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998047882-A1 | 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-29 | — | — | WO | disclosed |