Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 6/20 | 0.43 |
| ▸ | CAMK2A | Q9UQM7 | 3/20 | 0.41 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 6/20 | 0.38 |
| ▸ | MMP2 | P08253 | 5/20 | 0.38 |
| ▸ | MMP9 | P14780 | 3/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 4/20 | 0.36 |
| ▸ | MMP7 | P09237 | 3/20 | 0.36 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 3/20 | 0.36 |
| ▸ | MMP12 | P39900 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8997495 | 0.69 | MCOLN3 (0.53) | MMP3CAMK2ACAMK2G | |
| SCHEMBL6413655 | 0.63 | MMP3 (0.66) | MMP3MMP1MMP2MMP9TSHR | |
| SCHEMBL7342866 | 0.62 | CNR1 (0.60) | MMP3TSHRHTTKMT2A | |
| SCHEMBL7355017 | 0.62 | KEAP1 (0.48) | MMP3MMP1MMP2MMP9TSHR | |
| SCHEMBL6419046 | 0.62 | MMP3 (0.80) | MMP3MMP1MMP2MMP9PTGES | |
| SCHEMBL7349521 | 0.61 | CNR1 (0.47) | MMP3MMP1MMP2MMP9TSHR | |
| SCHEMBL7350900 | 0.60 | MMP3 (1.00) | MMP3MMP1MMP2MMP9PTGES | |
| SCHEMBL7344502 | 0.60 | CNR1 (0.53) | MMP3TSHRHTTKMT2A | |
| Bicarbonate SCHEMBL2492631 | 0.60 | ALDH1A1 (0.65) | MMP3CAMK2ACAMK2GPTGESTAS2R14 | |
| SCHEMBL6963809 | 0.59 | CNR1 (0.53) | MMP3CAMK2ACAMK2GMMP1MMP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5578633-A | VASOPRESSIN AND OXYTOCIN ANTAGONISTS | SANOFI (FR) | 1996-11-26 | — | — | US | disclosed |
| US-5397801-A | Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems | SANOFI (FR) | 1995-03-14 | — | — | US | disclosed |
| US-5338755-A | Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system | ELF SANOFI (FR) | 1994-08-16 | — | — | US | disclosed |