Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8400161 | 0.77 | DPP4 (0.38) | SMN1; SMN2CYP2A6HPGDNPC1RAB9A | |
| SCHEMBL8401140 | 0.73 | KDM4E (0.42) | SMN1; SMN2HPGDNPC1RAB9ATP53 | |
| SCHEMBL8400434 | 0.72 | RAB9A (0.50) | SMN1; SMN2CYP2A6HPGDNPC1RAB9A | |
| SCHEMBL8400494 | 0.70 | MYC (0.40) | SMN1; SMN2CYP2A6HPGDNPC1RAB9A | |
| SCHEMBL8792142 | 0.69 | MYC (0.52) | SMN1; SMN2CYP2A6HPGDNPC1RAB9A | |
| SCHEMBL8396823 | 0.68 | RXFP1 (0.49) | TP53ALDH1A1KDM4EDPP4KMT2A | |
| SCHEMBL8396825 | 0.67 | HSD17B10 (0.39) | SMN1; SMN2HPGDNPC1TP53ALDH1A1 | |
| SCHEMBL23630872 | 0.65 | DPP4 (0.57) | SMN1; SMN2CYP2A6ALDH1A1HSD11B1DPP4 | |
| SCHEMBL671133 | 0.65 | CYP2A6 (0.67) | SMN1; SMN2CYP2A6HPGDNPC1RAB9A | |
| SCHEMBL29802156 | 0.65 | CYP2A6 (0.67) | SMN1; SMN2CYP2A6HPGDNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5948916-A | Arylthiadiazole derivative and antiviral agent containing the same | RATIONAL DRUG DESIGN LABORATORIES (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0785193-A1 | ARYLTHIADIAZOLE DERIVATIVE AND ANTIVIRAL AGENT CONTAINING THE SAME | Rational Drug Design Laboratories (JP) | 1997-07-23 | — | — | EP | disclosed |