Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.43 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.43 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.43 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL378386 | 0.94 | TACR1 (0.57) | TACR1NPC1RAB9ASMN1; SMN2CHRM5 | |
| SCHEMBL378738 | 0.85 | TACR1 (0.58) | TACR1SMN1; SMN2CHRM5CHRM3ALDH1A1 | |
| SCHEMBL5349607 | 0.81 | HDAC4 (0.55) | SMN1; SMN2ALDH1A1CNR1LMNA | |
| SCHEMBL10254952 | 0.80 | TACR1 (0.69) | TACR1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL2467338 | 0.78 | CHRM5 (0.74) | TACR1NPC1RAB9ASMN1; SMN2CHRM5 | |
| SCHEMBL378422 | 0.77 | TACR1 (0.56) | TACR1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL378394 | 0.77 | TAAR1 (0.51) | HPGDNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL379276 | 0.76 | HPGD (0.44) | HPGDNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL28231788 | 0.76 | OPRM1 (0.43) | TACR1 | |
| SCHEMBL378896 | 0.75 | APP (0.50) | TACR1MEN1KMT2A |
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-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |