Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 11/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | ESR1 | P03372 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | F2 | P00734 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5943067 | 0.85 | KMT2A (0.76) | KMT2AALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL13791553 | 0.79 | KMT2A (0.85) | KMT2AALDH1A1HSD17B10MAPTMEN1 | |
| SCHEMBL27862190 | 0.78 | ALOX5 (0.66) | KMT2AMAPTMEN1CYP1A2CYP2C19 | |
| SCHEMBL7175937 | 0.78 | ALOX5 (0.66) | KMT2AALDH1A1MAPTMEN1CYP1A2 | |
| SCHEMBL13381577 | 0.77 | KMT2A (0.75) | KMT2AALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL19163381 | 0.77 | KMT2A (0.79) | KMT2AALDH1A1HSD17B10MAPTESR1 | |
| Biphenyl SCHEMBL27624338 | 0.77 | KMT2A (0.59) | KMT2AALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL27717151 | 0.76 | ALOX5 (0.56) | KMT2AMAPTCYP1A2CYP2C19ALOX5 | |
| SCHEMBL4260925 | 0.76 | EPHX1 (0.55) | MAPTALOX5 | |
| SCHEMBL29053641 | 0.76 | EPHX1 (0.55) | ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102659774-A | Piperidine and piperazine derivatives as P2X3 antagonists | HOFFMANN LA ROCHE | 2012-09-12 | — | — | CN | disclosed |
| CN-101282972-A | Piperidine and piperazine derivatives as P2X3 antagonists | HOFFMANN LA ROCHE (CH) | 2008-10-08 | — | — | CN | disclosed |