Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 5/20 | 0.46 |
| ▸ | RORC | P51449 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL248353 | 0.85 | RIPK1 (0.61) | RIPK1RORCHDAC1HDAC8HDAC6 | |
| SCHEMBL10061592 | 0.85 | RIPK1 (0.61) | RIPK1RORCHDAC1HDAC8HDAC6 | |
| SCHEMBL15850701 | 0.85 | RIPK1 (0.61) | RIPK1RORCHDAC1HDAC8HDAC6 | |
| SCHEMBL1274378 | 0.82 | RIPK1 (0.38) | RIPK1HDAC1HDAC8HDAC6 | |
| SCHEMBL1274529 | 0.81 | ALDH1A1 (0.42) | RIPK1HDAC1HDAC8HDAC6 | |
| SCHEMBL7589379 | 0.80 | L3MBTL1 (0.51) | RIPK1RORCABCB1NR1H2NR1H3 | |
| SCHEMBL1273290 | 0.79 | RIPK1 (0.42) | RIPK1RORCHDAC1HDAC8HDAC6 | |
| SCHEMBL20879577 | 0.77 | NR1H2 (0.46) | RIPK1RORCABCB1NR1H2NR1H3 | |
| SCHEMBL29695962 | 0.77 | MDM2 (0.42) | RIPK1RORCABCB1NR1H2NR1H3 | |
| SCHEMBL23522781 | 0.76 | USP2 (0.39) | — |
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-7893079-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-02-22 | — | — | US | disclosed |