Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 8/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL16004562 | 1.00 | RORC (0.46) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL18639490 | 0.86 | RORC (0.46) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL16004572 | 0.76 | RORC (0.44) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL18639700 | 0.74 | RORC (0.45) | RORCABCB1KDM1ANR1H2NR1H3 | |
| SCHEMBL7668068 | 0.74 | ABCB1 (0.42) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL7489317 | 0.74 | ABCB1 (0.42) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL286796 | 0.74 | ABCB1 (0.42) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL16237602 | 0.74 | ABCB1 (0.42) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL1334399 | 0.74 | ABCB1 (0.42) | RORCABCB1KDM1ANR1H2RXRA | |
| SCHEMBL7489323 | 0.74 | ABCB1 (0.42) | RORCABCB1KDM1ANR1H2RXRA |
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-9724682-B2 | Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-08-08 | — | — | US | disclosed |