Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11220429 | 0.86 | ADORA3 (0.62) | ADORA3RXFP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11238166 | 0.85 | ADORA3 (0.62) | ADORA3RXFP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11249270 | 0.84 | NPC1 (0.53) | ADORA3RXFP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11246100 | 0.82 | MAPT (0.53) | ADORA3SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL11242746 | 0.78 | MAPT (0.58) | RXFP1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11241140 | 0.76 | TYK2 (0.47) | ADORA3RXFP1NPC1RAB9AALDH1A1 | |
| SCHEMBL11227159 | 0.76 | SMN1; SMN2 (0.50) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11232389 | 0.75 | ALDH1A1 (0.62) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL14961926 | 0.75 | RORC (0.36) | ADORA3RXFP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL20791858 | 0.74 | SMN1; SMN2 (0.77) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 |
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-4343945-A | 5-Benzamido-3-trichloromethyl-1,2,4-thiadiazoles and their use as herbicides, fungicides and insecticides | OLIN CORPORATION (US) | 1982-08-10 | — | — | US | disclosed |