Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28408871 | 0.91 | POLB (0.43) | KMT2ASLC22A12NOTUMPOLBCYP2C9 | |
| SCHEMBL21350531 | 0.89 | KDM4E (0.38) | KMT2ASLC22A12NOTUMTSHR | |
| SCHEMBL28408966 | 0.88 | SLC22A12 (0.41) | KMT2ASLC22A12TSHRHTR2AHTR2C | |
| SCHEMBL28411914 | 0.88 | KMT2A (0.39) | KMT2ASLC22A12NOTUMPOLBCYP2C9 | |
| SCHEMBL28418713 | 0.88 | SLC22A12 (0.40) | KMT2ASLC22A12NOTUMPOLBCYP2C9 | |
| SCHEMBL21331841 | 0.88 | CYP2C9 (0.52) | KMT2ASLC22A12TSHRPOLBCYP2C9 | |
| SCHEMBL21331849 | 0.88 | KMT2A (0.39) | KMT2ASLC22A12NOTUMTSHRHTR2A | |
| SCHEMBL28414576 | 0.85 | SLC22A12 (0.46) | KMT2ASLC22A12POLBCYP2C9HIF1A | |
| SCHEMBL21350305 | 0.85 | SLC22A12 (0.57) | SLC22A12 | |
| SCHEMBL21350750 | 0.81 | PTGDR2 (0.45) | SLC22A12NOTUMTDP1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-108440397-B | 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof | 南方医科大学 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |
| WO-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |