Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL319633 | 0.81 | PTGS2 (0.46) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| SCHEMBL29370486 | 0.81 | PTGS2 (0.46) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| SCHEMBL8737400 | 0.79 | PTGS2 (0.44) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| Lithium SCHEMBL29594699 | 0.79 | PTGS2 (0.44) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| Bromide SCHEMBL31108155 | 0.79 | PTGS2 (0.44) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| Hydrochloric Acid SCHEMBL8319749 | 0.77 | PTGS2 (0.43) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| Hydrochloric Acid SCHEMBL7076887 | 0.77 | CYP11B2 (0.43) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| Hydrochloric Acid SCHEMBL8030722 | 0.77 | CYP11B2 (0.43) | PTGS2MTNR1AMTNR1BMAOAMAOB | |
| SCHEMBL5602110 | 0.67 | TRPA1 (0.47) | MTNR1AMTNR1BMAOAMAOBTRPA1 | |
| SCHEMBL1577597 | 0.66 | PTGS2 (0.41) | PTGS2MTNR1AMTNR1BMAOAMAOB |
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-2003057701-A2 | PREPARATION OF CYCLOPENTADIENYL OR INDENYL TITANIUM TRIHALIDES | BOULDER SCIENTIFIC COMPANY (US) | 2003-07-17 | — | — | WO | disclosed |
| US-6531619-B1 | Reacting lithiated rings with chlorotrialkoxytitanium in tetrahydrofuran or ethyl ether solvent, reacting produced indene titanium trialkoxide with SiCl4; exchanging first solvent with a hydrocarbon medium in which LiCl in insoluble | BOULDER SCIENTIFIC COMPANY | 2003-03-11 | — | — | US | disclosed |