Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL3585839 | 0.87 | FFAR4 (0.45) | MMP3TSHRHSD17B10CYP19A1FFAR4 | |
| SCHEMBL5591982 | 0.84 | HRH3 (0.42) | MMP3HRH3TSHRHSD17B10CYP19A1 | |
| SCHEMBL3585822 | 0.81 | MMP3 (0.40) | MMP3HRH3TSHRHSD17B10CYP19A1 | |
| SCHEMBL8409282 | 0.79 | TSHR (0.58) | MMP3HRH3TSHRHSD17B10CYP19A1 | |
| SCHEMBL16918828 | 0.79 | MMP3 (0.52) | MMP3TSHRRXRARXRBMAOA | |
| SCHEMBL1641272 | 0.76 | HRH3 (0.67) | HRH3 | |
| SCHEMBL7700731 | 0.76 | CHKA (0.50) | TSHRFFAR4RXRARXRBMAOB | |
| SCHEMBL21302775 | 0.76 | GRM5 (0.51) | MMP3CYP19A1MAOAMAOB | |
| SCHEMBL320278 | 0.73 | LOXL2 (0.54) | TSHRHSD17B10CYP19A1MMP12MMP13 | |
| SCHEMBL3598109 | 0.72 | MMP3 (0.42) | MMP3HRH3MMP13HSD11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007121389-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-25 | — | — | WO | disclosed |