Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | EDNRB | P24530 | 5/20 | 0.33 |
| ▸ | EDNRA | P25101 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9699602 | 0.88 | MME (0.32) | NAAAEDNRBEDNRA | |
| SCHEMBL9698268 | 0.88 | NAAA (0.31) | NAAAEDNRBEDNRA | |
| SCHEMBL10392875 | 0.86 | VDR (0.31) | NAAA | |
| SCHEMBL9700881 | 0.85 | S1PR2 (0.31) | NAAA | |
| SCHEMBL9699638 | 0.77 | EBP (0.36) | — | |
| SCHEMBL10394793 | 0.77 | CYP3A4 (0.32) | ALDH1A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10694561 | 0.72 | SPHK2 (0.31) | ALDH1A1HTT | |
| Bromide SCHEMBL9718283 | 0.71 | IDO1 (0.37) | — | |
| SCHEMBL9813460 | 0.70 | CYP4F2 (0.40) | ALDH1A1TSHR | |
| SCHEMBL9699643 | 0.68 | MEN1 (0.30) | KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106991-A | Geminally substituted thiaheterocyclic carboxylic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| US-4975452-A | Geminally substituted thiaheterocyclic carboxylic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1990-12-04 | — | — | US | disclosed |