Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9060576 | 0.79 | — | — | |
| SCHEMBL4250574 | 0.76 | ALDH1A1 (0.44) | CYP2A6SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL9160072 | 0.76 | AHR (0.68) | AHRCYP1A2ALOX5LMNACYP2A6 | |
| SCHEMBL433164 | 0.76 | ALOX5 (0.42) | AHRCYP1A2ALOX5LMNACYP2A6 | |
| SCHEMBL18393670 | 0.75 | AHR (0.54) | AHRCYP1A2ALOX5LMNACYP2A6 | |
| SCHEMBL6068230 | 0.75 | AHR (0.54) | AHRCYP1A2ALOX5LMNACYP2A6 | |
| SCHEMBL17514536 | 0.74 | AHR (0.39) | AHRCNR1 | |
| SCHEMBL28029605 | 0.74 | NPC1 (0.36) | AHRCYP1A2ALOX5LMNACYP2A6 | |
| SCHEMBL15637337 | 0.74 | AHR (0.59) | AHRSMN1; SMN2TSHRNPC1TP53 | |
| SCHEMBL407135 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |