Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL345525 | 0.80 | LDHA (0.53) | TSHRLDHASLC6A4CYP1A2CYP2D6 | |
| SCHEMBL9566881 | 0.78 | SLC6A4 (0.55) | TSHRLDHASLC6A4CYP1A2CYP2D6 | |
| SCHEMBL250981 | 0.78 | TRPA1 (0.46) | TSHRSMN1; SMN2SLC6A4CYP1A2CYP2C19 | |
| SCHEMBL6876618 | 0.78 | TRPA1 (0.46) | TSHRSMN1; SMN2SLC6A4CYP1A2CYP2C19 | |
| SCHEMBL5672807 | 0.78 | TRPA1 (0.46) | TSHRSMN1; SMN2SLC6A4CYP1A2CYP2C19 | |
| SCHEMBL14402528 | 0.77 | LDHA (0.50) | TSHRLDHASLC6A4CYP1A2CYP2D6 | |
| SCHEMBL23386554 | 0.76 | APLNR (0.54) | TSHRALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL8061007 | 0.75 | SLC6A4 (0.51) | ALDH1A1LDHASLC6A4CYP1A2CYP2D6 | |
| SCHEMBL28994002 | 0.74 | SLC6A4 (0.53) | TSHRALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL1219102 | 0.73 | SLC6A4 (0.57) | TSHRALDH1A1TP53CYP3A4ALOX15 |
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-5698578-A | BIS-INDOLEMALEIMIDE MACROCYCLE DERIVATIVES; TREATMENT OF DIABETES | ELI LILLY AND COMPANY (US) | 1997-12-16 | — | — | US | disclosed |