Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 5/20 | 0.58 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.55 |
| ▸ | KMO | O15229 | 1/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 3/20 | 0.51 |
| ▸ | PARP1 | P09874 | 3/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.50 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30687977 | 1.00 | DHODH (0.58) | DHODHPDK2KMOPRSS1PRSS2 | |
| SCHEMBL43553 | 0.89 | DHODH (0.70) | DHODHKMOPRSS1PRSS2PRSS3 | |
| SCHEMBL29788172 | 0.89 | DHODH (0.70) | DHODHKMOPRSS1PRSS2PRSS3 | |
| Trifluoroacetic Acid SCHEMBL10277408 | 0.87 | PARP1 (0.59) | DHODHPARP1POLBCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL30628442 | 0.87 | DHODH (0.68) | DHODHKMOPRSS1PRSS2PRSS3 | |
| Trifluoroacetic Acid SCHEMBL29713373 | 0.87 | PARP1 (0.59) | DHODHPARP1POLBCYP3A4MAPT | |
| SCHEMBL29941476 | 0.87 | DHODH (0.68) | DHODHPDK2KMOPRSS1PRSS2 | |
| Bromide SCHEMBL30159854 | 0.87 | DHODH (0.68) | DHODHKMOPRSS1PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL3973404 | 0.87 | DHODH (0.68) | DHODHKMOPRSS1PRSS2PRSS3 | |
| Hydrogen Sulfide SCHEMBL27914334 | 0.87 | DHODH (0.68) | DHODHKMOPRSS1PRSS2PRSS3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001064213-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-09-07 | — | — | WO | claimed |
| WO-2001064213-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-09-07 | — | — | WO | disclosed |