Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.52 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.51 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.51 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.51 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP3 | P08254 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP12 | P39900 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | MMP14 | P50281 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5961842 | 0.94 | PTGS1 (0.59) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL538512 | 0.94 | KMT2A (0.60) | PTGS1ABCC4LMNAGAATSHR | |
| Hydrochloric Acid SCHEMBL11895689 | 0.92 | KMT2A (0.58) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL29512995 | 0.92 | KMT2A (0.58) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL28594606 | 0.92 | KMT2A (0.58) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL27701716 | 0.92 | KMT2A (0.58) | PTGS1ABCC4LMNAGAATSHR | |
| Ammonia Solution, Strong SCHEMBL27926479 | 0.92 | KMT2A (0.58) | PTGS1ABCC4LMNAGAATSHR | |
| Ethane SCHEMBL28588588 | 0.90 | PTGS1 (0.57) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL28408449 | 0.86 | PTGS1 (0.66) | PTGS1ABCC4LMNAGAATSHR | |
| SCHEMBL7601609 | 0.86 | AKR1B1 (0.57) | PTGS1ABCC4LMNAGAATSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1649875-A | 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof | PLIVA D D (HR) | 2005-08-03 | — | — | CN | claimed |
| CN-101805283-B | 1,4-dihydropyridines compound containing azulene structure and preparation method thereof | UNIV SHANGHAI | 2013-01-02 | — | — | CN | disclosed |
| CN-101805283-A | 1,4-dihydropyridines compound containing azulene structure and preparation method thereof | UNIV SHANGHAI | 2010-08-18 | — | — | CN | disclosed |
| CN-1649875-A | 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof | PLIVA D D (HR) | 2005-08-03 | — | — | CN | disclosed |
| CN-1345312-A | Dibenzoazulene derivatives for treating thrombosis, osteoporosis arteriosclerosis | MERCK PATENT GMBH (DE) | 2002-04-17 | — | — | CN | disclosed |
| US-5843999-A | 2-phenylazulene derivatives and a manufacturing method of these compounds | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1998-12-01 | — | — | US | disclosed |