Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3524973 | 0.76 | L3MBTL1 (0.46) | RECQLHTTCCR1CCR8NOS3 | |
| SCHEMBL11826583 | 0.73 | HTT (0.41) | RECQLHTTCCR1CCR8NOS3 | |
| SCHEMBL11822739 | 0.73 | HTT (0.41) | RECQLHTTCCR1CCR8NOS3 | |
| SCHEMBL4558714 | 0.71 | SMN1; SMN2 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11814736 | 0.70 | HTT (0.39) | RECQLHTTCCR1CCR8NOS3 | |
| SCHEMBL11631991 | 0.69 | L3MBTL1 (0.51) | RECQLHTTGRM5ALDH1A1NPC1 | |
| SCHEMBL954513 | 0.68 | CCR1 (0.52) | RECQLHTTCCR1CCR8NOS3 | |
| SCHEMBL16545967 | 0.68 | HTT (0.37) | RECQLHTTCCR1CCR8NOS3 | |
| SCHEMBL17331400 | 0.68 | HTT (0.37) | RECQLHTTCCR1CCR8NOS3 | |
| SCHEMBL1706922 | 0.67 | CCR1 (0.46) | RECQLHTTCCR1CCR8NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-3950522-A | N-ALKENYL OR N-ALKYNYL THIOAMIDES | SMITHKLINE CORPORATION (US) | 1976-04-13 | — | — | US | disclosed |
| US-3932641-A | THIOACETAMIDES | SMITHKLINE CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |
| US-3931162-A | N-Aminomethyl heterocyclic thioacetamides | SMITHKLINE CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |