Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18389969 | 0.91 | HTR1A (0.50) | LMNAHTR1AALDH1A1KDM4EHTT | |
| SCHEMBL25568891 | 0.89 | HTR1A (0.48) | LMNAHTR1AALDH1A1HTTHSD11B1 | |
| SCHEMBL24518383 | 0.87 | LIPE (0.44) | ALDH1A1HTTTSHRHPGDLIPE | |
| SCHEMBL15551380 | 0.87 | LIPE (0.44) | ALDH1A1HTTTSHRHPGDLIPE | |
| SCHEMBL28019652 | 0.87 | LIPE (0.44) | ALDH1A1HTTTSHRHPGDLIPE | |
| SCHEMBL19012442 | 0.83 | MAPT (0.45) | HTR1AALDH1A1HTTHSD11B1CYP1A2 | |
| SCHEMBL1561145 | 0.83 | HTR1A (0.43) | LMNAHTR1AALDH1A1HTTHSD11B1 | |
| SCHEMBL19001142 | 0.81 | LIPE (0.39) | ALDH1A1TSHRHPGDRAB9ALIPE | |
| SCHEMBL31097151 | 0.81 | HPGD (0.43) | ALDH1A1HTTHPGDSMN1; SMN2LIPE | |
| SCHEMBL30967383 | 0.81 | CA2 (0.44) | ALDH1A1TSHRHPGDLIPEHSD11B1 |
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-2091925-B1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME | BOEHRINGER INGELHEIM INT (DE) | 2011-04-06 | — | — | EP | claimed |
| EP-2373329-A2 | USE OF EPIDERMAL GROWTH FACTOR INHIBITORS IN THE TREATMENT OF VIRAL INFECTION | The Regents of the University of California (US) | 2011-10-12 | — | — | EP | disclosed |