Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14424603 | 0.77 | — | — | |
| SCHEMBL10187272 | 0.77 | TDP1 (0.48) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL13772810 | 0.75 | ALDH1A1 (0.36) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL10053462 | 0.72 | CA12 (0.42) | CYP1A2CYP2A6ALDH1A1ACHEMEN1 | |
| SCHEMBL20666639 | 0.72 | LMNA (0.48) | ALDH1A1ACHESMN1; SMN2TRPA1MEN1 | |
| SCHEMBL13772764 | 0.70 | CYP1A2 (0.32) | CYP1A2CYP2A6 | |
| SCHEMBL25519444 | 0.70 | CYP2A6 (0.43) | CYP2A6ALDH1A1 | |
| SCHEMBL13772724 | 0.70 | TDP1 (0.54) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL14276963 | 0.68 | RAPGEF4 (0.36) | CYP1A2CYP2A6ALDH1A1RAPGEF4ACHE | |
| SCHEMBL29365203 | 0.67 | — | — |
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-2010053210-A1 | INDENOPYRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND | CANON KABUSHIKI KAISHA (JP) | 2010-05-14 | — | — | WO | disclosed |
| EP-1732917-B1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-07-29 | — | — | EP | disclosed |