Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13085444 | 0.84 | KEAP1 (0.91) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL10414143 | 0.82 | KEAP1 (0.76) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL7179616 | 0.81 | KEAP1 (0.74) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL30068740 | 0.81 | KEAP1 (0.74) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL3280208 | 0.81 | KEAP1 (0.74) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL27896752 | 0.81 | KEAP1 (0.68) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL29865777 | 0.81 | KEAP1 (0.68) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL22051980 | 0.80 | KEAP1 (0.53) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL27879953 | 0.78 | KEAP1 (0.70) | KEAP1TSHRMAPTPOLBHTT | |
| SCHEMBL14904834 | 0.77 | KEAP1 (0.57) | KEAP1TSHRMAPTPOLBHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009050248-A1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| US-4233217-A | USED AS ANALGESICS, NARCOTIC ANTAGONISTS, AND ANTIHISTAMINES | PENNWALT CORPORATION (US) | 1980-11-11 | — | — | US | disclosed |
| US-4210749-A | USED AS ANALGESICS, NARCOTIC ANTAGONISTS | PENNWALT CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |