Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | F2 | P00734 | 3/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | EDNRA | P25101 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8085717 | 0.88 | CA2 (0.59) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL12603022 | 0.80 | CA2 (0.65) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL12119426 | 0.78 | CA2 (0.63) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL9674671 | 0.78 | CA2 (0.63) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL11887250 | 0.77 | CA2 (0.61) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL12832696 | 0.77 | CYP1A2 (0.58) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL8839047 | 0.77 | CA2 (0.56) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL563863 | 0.76 | CA2 (0.69) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL133520 | 0.76 | CA2 (0.69) | CA2F2PRSS1PRSS2PRSS3 | |
| SCHEMBL29941705 | 0.76 | CA2 (0.69) | CA2F2PRSS1PRSS2PRSS3 |
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-6140310-A | ADMINISTERING AN EFFECTIVE AMOUNT OF PHOSPHORUS PRODRUG IN A MAMMAL FOR TREATING A VIRAL INFECTION | DRUG INNOVATION & DESIGN, INC. (US) | 2000-10-31 | — | — | US | disclosed |
| US-5789608-A | LIPID SOLUBLE; DIFFUSE INTO CELLS AND TISSUE; VIRICIDES, ANTICANCER AGENTS | DRUG INNOVATION AND DESIGN, INC. (US) | 1998-08-04 | — | — | US | disclosed |
| US-5627165-A | ANTIVIRAL AND ANTILEUKEMIA AGENTS | DRUG INNOVATION & DESIGN, INC. (US) | 1997-05-06 | — | — | US | disclosed |