Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 13/20 | 0.59 |
| ▸ | TPH2 | Q8IWU9 | 13/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CBFB | Q13951 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19874759 | 0.74 | TPH2 (1.00) | TPH1TPH2 | |
| SCHEMBL22365667 | 0.68 | TPH1 (0.58) | TPH1TPH2ALDH1A1MAPT | |
| SCHEMBL22365623 | 0.65 | TPH2 (0.60) | TPH1TPH2KDM4EALDH1A1HPGD | |
| SCHEMBL19827282 | 0.63 | TPH2 (0.62) | TPH1TPH2 | |
| SCHEMBL23448916 | 0.61 | PKM (0.55) | NPC1LMNATP53TSHRRAB9A | |
| SCHEMBL19874720 | 0.60 | TPH2 (1.00) | TPH1TPH2 | |
| SCHEMBL9304850 | 0.60 | NPC1 (0.61) | KDM4ENPC1USP2ALDH1A1LMNA | |
| SCHEMBL11584966 | 0.60 | NPC1 (0.54) | TPH1TPH2KDM4ENPC1USP2 | |
| SCHEMBL15063508 | 0.59 | RAB9A (0.61) | NPC1ALDH1A1LMNATP53MAPT | |
| SCHEMBL24510733 | 0.59 | MMP9 (0.64) | NPC1LMNATP53TSHRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3262044-B1 | XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME | MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN (DE) | 2019-02-06 | — | — | EP | disclosed |