Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Picolamine SCHEMBL27476690 | 0.94 | NAPRT (0.59) | NAPRTCHRNA7RECQLCYP1A2CYP3A4 | |
| Picolamine SCHEMBL16097637 | 0.88 | RECQL (0.51) | NAPRTCHRNA7RECQLCYP1A2CYP3A4 | |
| Picolamine SCHEMBL28879610 | 0.88 | CHRNA7 (0.63) | NAPRTCHRNA7CYP1A2CYP2A6HRH1 | |
| Picolamine SCHEMBL17850 | 0.88 | — | — | |
| Picolamine SCHEMBL30046657 | 0.88 | — | — | |
| Picolamine SCHEMBL29394769 | 0.88 | — | — | |
| Picolamine SCHEMBL6863259 | 0.86 | CHRNA7 (0.57) | NAPRTCHRNA7RECQLCYP1A2KDM4E | |
| Picolamine SCHEMBL2674094 | 0.86 | — | — | |
| Picolamine SCHEMBL7984435 | 0.86 | — | — | |
| Picolamine SCHEMBL2404845 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109593064-A | Dithiocarbamates compound as BTK inhibitor | 北京信辰医药科技有限公司 | 2019-04-09 | — | — | CN | disclosed |