Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 6/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL27827524 | 0.80 | TP53 (0.34) | TP53HTR2CHTR2ASLC6A4MEN1 | |
| Hydrochloric Acid SCHEMBL27655149 | 0.76 | USP2 (0.32) | ALDH1A1ALOX15 | |
| SCHEMBL28508841 | 0.72 | HTR2C (0.36) | HTR2CHTR2AHTR2B | |
| SCHEMBL10153799 | 0.72 | HTR2C (0.41) | TP53HTR2CHTR2ASLC6A4MEN1 | |
| SCHEMBL28778091 | 0.71 | HTR2C (0.35) | HTR2CHTR2ASLC6A4HTR2BSLC6A2 | |
| Hydrochloric Acid SCHEMBL7050100 | 0.71 | HTR2C (0.40) | TP53HTR2CHTR2ASLC6A4MEN1 | |
| SCHEMBL26349373 | 0.69 | BRD4 (0.35) | TP53HTR2CHTR2AMEN1KMT2A | |
| SCHEMBL24835676 | 0.67 | GRIA2 (0.35) | TP53ALDH1A1ALOX15TDP1IDH1 | |
| SCHEMBL8565402 | 0.64 | HTR1A (0.40) | SLC6A4SLC6A2HTR1ASLC6A3 | |
| SCHEMBL21179825 | 0.64 | HTR2C (0.56) | HTR2CHTR2AHTR2BHTR1AHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101495480-B | Constrained compounds as cgrp-receptor antagonists | BRISTOL MYERS SQUIBB CO | 2013-07-10 | — | — | CN | disclosed |