Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6974191 | 0.80 | YAP1 (0.35) | TSHRSLC6A3 | |
| SCHEMBL6978293 | 0.79 | ALDH1A1 (0.39) | ALDH1A1POLBHPGDKDM4ERAB9A | |
| SCHEMBL6977392 | 0.77 | ALDH1A1 (0.37) | ALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL6981240 | 0.77 | ALDH1A1 (0.41) | ALDH1A1POLBHPGDSMN1; SMN2KDM4E | |
| SCHEMBL6966808 | 0.77 | ALDH1A1 (0.35) | ALDH1A1POLBTP53MAPTNPSR1 | |
| SCHEMBL6972056 | 0.77 | MAPT (0.35) | MAPT | |
| SCHEMBL6976352 | 0.68 | ALDH1A1 (0.42) | ALDH1A1POLBHPGDSMN1; SMN2KDM4E | |
| SCHEMBL6981063 | 0.68 | ALDH1A1 (0.31) | ALDH1A1POLBMAPT | |
| SCHEMBL6978310 | 0.67 | ALDH1A1 (0.41) | ALDH1A1POLBHPGDSMN1; SMN2KDM4E | |
| SCHEMBL5468924 | 0.66 | KCNA5 (0.41) | ALDH1A1TSHRSLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5883251-A | ENZYME INHIBITORS | G. D. SEARLE & CO. (US) | 1999-03-16 | — | — | US | claimed |
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |