Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 3/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19240430 | 0.79 | S1PR4 (0.34) | MAPT | |
| SCHEMBL1711752 | 0.79 | TGFBR1 (0.38) | TGFBR1CYP3A4CYP2C8PAX8CRHR1 | |
| SCHEMBL31262781 | 0.72 | KDM4E (0.42) | NSD2KDM4EALDH1A1 | |
| SCHEMBL1711384 | 0.71 | S100A4 (0.38) | TGFBR1FFAR1RAB9AADORA1 | |
| SCHEMBL13738009 | 0.70 | CCR1 (0.46) | PDE2APDE10AMAPTRAB9AADORA1 | |
| SCHEMBL318842 | 0.70 | CCR1 (0.38) | TGFBR1CYP3A4CYP2C8PDE2APDE10A | |
| SCHEMBL10086105 | 0.68 | TUBB1 (0.42) | CYP3A4FFAR1TRPA1LMNAMAPT | |
| SCHEMBL31262598 | 0.67 | TDP1 (0.40) | CYP3A4KDM4EALDH1A1LMNAMAPT | |
| SCHEMBL31262419 | 0.67 | TRPA1 (0.39) | CYP3A4KCNH2TRPA1NPC1ALDH1A1 | |
| SCHEMBL13086666 | 0.67 | TUBB1 (0.39) | CYP3A4PDE2APDE10ATRPA1NPC1 |
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-104311480-A | Picolinamide derivatives as kinase inhibitors | NOVARTIS AG | 2015-01-28 | — | — | CN | disclosed |