Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286064 | 0.92 | ALDH1A1 (0.39) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL13907747 | 0.83 | KMO (0.42) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL3657536 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL16448857 | 0.79 | ACACB (0.38) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL3658099 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL16435008 | 0.78 | ACACB (0.43) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL1286093 | 0.78 | KDR (0.44) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL12787337 | 0.78 | ACACB (0.41) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL4064265 | 0.77 | ACACB (0.40) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL3659786 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HPGDACACBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |