Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3510029 | 0.93 | RAB9A (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2404818 | 0.91 | NPC1 (0.59) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| Ethyl Benzoate SCHEMBL1817887 | 0.89 | SMN1; SMN2 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29617015 | 0.89 | TP53 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15557036 | 0.88 | CYP2C9 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4193217 | 0.87 | TP53 (0.61) | CA12CA1CA2CA7CA9 | |
| Biphenyl SCHEMBL27937069 | 0.86 | MEN1 (0.72) | CA12CA1CA2CA7CA9 | |
| Biphenyl SCHEMBL927814 | 0.86 | MEN1 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24106782 | 0.85 | MEN1 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL570961 | 0.85 | MEN1 (0.70) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1603921-A1 | THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES | PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) | 2005-12-14 | — | — | EP | claimed |
| WO-2004078763-A1 | THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES | PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) | 2004-09-16 | — | — | WO | claimed |
| EP-1546134-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004014895-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |