Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27032845 | 0.83 | SMN1; SMN2 (0.34) | NAPRTHSD17B10CYP3A4TSHRMAPT | |
| SCHEMBL19629839 | 0.80 | KMT2A (0.41) | TSHRNPC1RAB9APOLBKMT2A | |
| SCHEMBL6566079 | 0.79 | MAPT (0.38) | HSD17B10CYP3A4TSHRMAPTPOLB | |
| SCHEMBL19629808 | 0.77 | CA1 (0.44) | MAPTNPC1RAB9AMTNR1AMTNR1B | |
| SCHEMBL24427228 | 0.76 | CA1 (0.39) | MAPTALDH1A1GAAKDM4ELMNA | |
| SCHEMBL20048670 | 0.76 | TAAR1 (0.50) | TAAR1GAA | |
| SCHEMBL22250107 | 0.76 | KDM1A (0.43) | TSHRMAPTALDH1A1LMNA | |
| SCHEMBL31518525 | 0.76 | MAPK1 (0.50) | HSD17B10CYP3A4MAPTNPC1KMT2A | |
| Methylphenylsulfoxide SCHEMBL28727347 | 0.76 | CES2 (0.39) | NAPRTHSD17B10CYP3A4ALOX5TSHR | |
| SCHEMBL8292164 | 0.75 | MMP2 (0.39) | CYP3A4MAPTCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3122353-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2020-10-28 | — | — | EP | disclosed |
| WO-2014152018-A1 | OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-09-25 | — | — | WO | disclosed |