Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTHFD2 | P13995 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 8/20 | 0.61 |
| ▸ | TP53 | P04637 | 3/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | STAT6 | P42226 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18990508 | 0.92 | MTHFD2 (0.77) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL24554904 | 0.92 | MTHFD2 (0.77) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL18990506 | 0.92 | MTHFD2 (0.77) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL18990158 | 0.90 | MTHFD2 (0.86) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL18990160 | 0.90 | MTHFD2 (0.86) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL18990395 | 0.88 | MTHFD2 (0.77) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL19013786 | 0.88 | MTHFD2 (0.77) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL18990396 | 0.88 | MTHFD2 (0.77) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL18990815 | 0.88 | MTHFD2 (0.71) | MTHFD2MAPTTP53HIF1ATSHR | |
| SCHEMBL18990813 | 0.88 | MTHFD2 (0.71) | MTHFD2MAPTTP53HIF1ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017106352-A1 | CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-06-22 | — | — | WO | disclosed |