Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1081516 | 0.98 | CYP1A2 (0.52) | CYP1A2GABRA5GABRB2HSD17B10ALDH1A1 | |
| SCHEMBL3706141 | 0.82 | HTT (0.42) | CYP1A2GABRA5GABRB2HSD17B10ALDH1A1 | |
| SCHEMBL4605425 | 0.80 | CYP1A2 (0.32) | CYP1A2GABRA5GABRB2HSD17B10ALDH1A1 | |
| SCHEMBL8762777 | 0.80 | CYP1A2 (0.36) | CYP1A2GABRA5GABRB2HSD17B10ALDH1A1 | |
| SCHEMBL1080895 | 0.80 | ALDH1A1 (0.47) | HSD17B10ALDH1A1KMT2AMAPTHTT | |
| Hydrochloric Acid SCHEMBL10780663 | 0.78 | CYP1A2 (0.35) | CYP1A2GABRA5GABRB2HSD17B10ALDH1A1 | |
| SCHEMBL8358005 | 0.76 | HTT (0.49) | HSD17B10ALDH1A1MAPTHTTRAB9A | |
| SCHEMBL10839260 | 0.73 | SMN1; SMN2 (0.49) | CYP1A2HSD17B10ALDH1A1MEN1KMT2A | |
| SCHEMBL9864613 | 0.73 | NPC1 (0.37) | HSD17B10ALDH1A1MAPTHTTRAB9A | |
| SCHEMBL2901051 | 0.70 | ALDH1A1 (0.35) | HSD17B10ALDH1A1MAPTSMN1; SMN2 |
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-5011938-A | Antimicrobials | ELI LILLY AND COMPANY (US) | 1991-04-30 | — | — | US | disclosed |
| US-4940718-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1990-07-10 | — | — | US | disclosed |