Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | PKM | P14618 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24567550 | 1.00 | SMN1; SMN2 (0.66) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL15715055 | 0.86 | PKM (0.62) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL12022346 | 0.83 | SMN1; SMN2 (0.62) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL24568671 | 0.81 | KDM4E (0.66) | SMN1; SMN2PKMHTTMEN1KMT2A | |
| SCHEMBL12212879 | 0.81 | SMN1; SMN2 (0.60) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL8392709 | 0.81 | SMN1; SMN2 (0.96) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL12022410 | 0.80 | PKM (0.58) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL11641512 | 0.79 | PKM (0.57) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL6801923 | 0.79 | PKM (0.57) | SMN1; SMN2PKMHTTNPC1RAB9A | |
| SCHEMBL7511110 | 0.79 | ALDH1A1 (0.46) | SMN1; SMN2PKMHTTKMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6953788-B1 | 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-11 | — | — | US | disclosed |