Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2791614 | 0.83 | LMNA (0.35) | TSHRLMNAALDH1A1CYP1A2MAPT | |
| SCHEMBL2794308 | 0.79 | HSP90AB1 (0.39) | TSHRLMNAALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL3530832 | 0.77 | TSHR (0.57) | TSHRLMNAALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL11373594 | 0.75 | ALOX15 (0.57) | TSHRLMNAALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL29886586 | 0.74 | TSHR (0.64) | TSHRLMNAALDH1A1TP53CASP1 | |
| SCHEMBL432644 | 0.74 | TSHR (0.64) | TSHRLMNAALDH1A1TP53CASP1 | |
| SCHEMBL3522980 | 0.74 | TSHR (0.40) | TSHRLMNAALDH1A1TP53CASP1 | |
| SCHEMBL28140899 | 0.73 | CXCR2 (0.33) | TSHRLMNAALDH1A1TP53CASP1 | |
| SCHEMBL10606007 | 0.73 | TSHR (0.61) | TSHRLMNAALDH1A1TP53CASP1 | |
| SCHEMBL8617010 | 0.73 | TSHR (0.61) | TSHRLMNAALDH1A1TP53CASP1 |
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-2018170275-A1 | CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-09-20 | — | — | WO | disclosed |