Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7811404 | 0.97 | TACR1 (0.49) | TACR1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7809427 | 0.93 | TACR1 (0.52) | TACR1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7815281 | 0.84 | FFAR1 (0.44) | HTTHSP90AA1 | |
| SCHEMBL7809340 | 0.83 | TACR1 (0.51) | TACR1KMT2AMEN1TDP1SMN1; SMN2 | |
| SCHEMBL8798403 | 0.82 | PRKCZ (0.48) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL657182 | 0.82 | PRKCZ (0.48) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7811219 | 0.82 | TACR1 (0.46) | TACR1CYP3A4CYP2D6FNTAFNTB | |
| SCHEMBL7815209 | 0.82 | TACR1 (0.50) | TACR1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7815520 | 0.82 | TACR1 (0.60) | TACR1HTTNPC1RAB9ATDP1 | |
| SCHEMBL7811343 | 0.81 | TACR1 (0.49) | TACR1LMNACYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0773929-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-10-31 | — | — | EP | disclosed |