Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27764923 | 0.81 | KCNH2 (0.49) | TDP1SOS1GNAI3GNAO1GNAI1 | |
| Tert-Butyl Formate SCHEMBL27790899 | 0.76 | GNAI3 (0.36) | TDP1MEN1KMT2ASOS1GNAI3 | |
| Tert-Butyl Formate SCHEMBL27987725 | 0.76 | TDP1 (0.46) | TDP1GNAI3GNAO1GNAI1 | |
| Tert-Butyl Formate SCHEMBL27410595 | 0.76 | TDP1 (0.46) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27867191 | 0.75 | GNAI3 (0.44) | TDP1MEN1KMT2ASOS1GNAI3 | |
| Tert-Butyl Formate SCHEMBL27852871 | 0.74 | TDP1 (0.45) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27757049 | 0.74 | GNAI3 (0.37) | TDP1SOS1GNAI3GNAO1GNAI1 | |
| SCHEMBL28667827 | 0.73 | GNAI3 (0.37) | TDP1SOS1GNAI3GNAO1GNAI1 | |
| Tert-Butyl Formate SCHEMBL27852257 | 0.73 | TDP1 (0.43) | TDP1GNAI3GNAO1GNAI1 | |
| Tert-Butyl Formate SCHEMBL28776598 | 0.73 | GRIN2B (0.46) | MEN1KMT2ASOS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101495480-B | Constrained compounds as cgrp-receptor antagonists | BRISTOL MYERS SQUIBB CO | 2013-07-10 | — | — | CN | disclosed |
| CN-101495480-A | Constrained compounds as cgrp-receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-07-29 | — | — | CN | disclosed |