Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CTSG | P08311 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14295054 | 0.84 | SMN1; SMN2 (0.61) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL2628428 | 0.83 | HDAC1 (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23615410 | 0.83 | MMP2 (0.61) | NPC1RAB9ASMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL25674461 | 0.83 | MMP2 (0.61) | NPC1RAB9ASMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL17231646 | 0.81 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL22331980 | 0.80 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL3456224 | 0.80 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL7197881 | 0.80 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2SIGMAR1LMNA | |
| SCHEMBL15107039 | 0.79 | CYP3A4 (0.56) | NPC1RAB9ASMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL20844610 | 0.79 | NPC1 (0.52) | NPC1RAB9ASIGMAR1LMNATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3210998-A1 | METASTIN DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2017-08-30 | — | — | EP | disclosed |