Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.63 |
| ▸ | RAB9A | P51151 | 11/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1059693 | 0.84 | RAB9A (0.64) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL3397691 | 0.84 | RAB9A (0.55) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL30037937 | 0.82 | RAB9A (0.62) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL757031 | 0.82 | RAB9A (0.62) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL285358 | 0.81 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL103809 | 0.81 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL243922 | 0.81 | LMNA (0.61) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL2929122 | 0.81 | MAPT (0.66) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL104281 | 0.81 | HDAC6 (0.61) | NPC1RAB9ASMN1; SMN2KDM4ELMNA | |
| SCHEMBL14050118 | 0.81 | MAPT (0.76) | NPC1RAB9ASMN1; SMN2KDM4ELMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011025774-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |
| US-6962938-B2 | Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-08 | — | — | US | disclosed |
| US-6720329-B2 | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-04-13 | — | — | US | disclosed |