Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 3/20 | 0.37 |
| ▸ | FEN1 | P39748 | 3/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12235278 | 0.84 | TDP1 (0.48) | FFAR4ERCC5FEN1GSK3BACHE | |
| SCHEMBL2644142 | 0.82 | MAPT (0.46) | ACHEHPGDKDM4EMEN1MAPT | |
| SCHEMBL7216443 | 0.79 | HPGD (0.49) | HPGDTDP1MEN1MAPTKMT2A | |
| SCHEMBL28759425 | 0.79 | NR4A2 (0.62) | HPGDTDP1MAPTKMT2AMAPK1 | |
| SCHEMBL108054 | 0.77 | CA12 (0.59) | KDM4EMEN1MAPTKMT2ACYP3A4 | |
| SCHEMBL6175462 | 0.77 | CA12 (0.54) | HPGDTDP1TSHRATML3MBTL1 | |
| SCHEMBL30497947 | 0.77 | CA12 (0.59) | KDM4EMEN1MAPTKMT2ACYP3A4 | |
| SCHEMBL27885569 | 0.76 | HSD17B3 (0.51) | TDP1MEN1MAPTKMT2ACES1 | |
| SCHEMBL127587 | 0.76 | HSD17B10 (0.59) | HPGDTDP1KDM4EMEN1MAPT | |
| SCHEMBL6061554 | 0.75 | HDAC1 (0.45) | FFAR4ERCC5FEN1GSK3BACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |