Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6139747 | 0.77 | KMO (0.51) | MEN1KMT2ACYP2A6NPC1GAA | |
| SCHEMBL16502516 | 0.70 | MEN1 (0.48) | MEN1KMT2ANPC1GAAMAPT | |
| SCHEMBL28080232 | 0.66 | MEN1 (0.49) | MEN1KMT2ACYP2A6NPC1MAPT | |
| SCHEMBL10012128 | 0.66 | MEN1 (0.68) | MEN1KMT2ANPC1MAPTRAB9A | |
| SCHEMBL8442902 | 0.65 | IL2 (0.57) | MAPTSMN1; SMN2 | |
| SCHEMBL1821918 | 0.65 | CYP2A6 (0.60) | MEN1KMT2ACYP2A6CYP2E1CYP3A4 | |
| SCHEMBL58532 | 0.64 | NR1H4 (0.58) | NPC1MAPTRAB9A | |
| SCHEMBL6067920 | 0.64 | CYP2A6 (0.55) | MEN1KMT2ACYP2A6GAAMAPT | |
| SCHEMBL11478110 | 0.63 | PTGS1 (0.59) | KMT2ACYP2A6MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28115396 | 0.63 | PTGS1 (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180047906-A1 | HEXABENZOCORONENE-BASED COMPOUND FOR ORGANIC PHOTOVOLTAIC CELLS | UNIVERSITE DE PAU ET DES PAYS DE L'ADOUR (FR) | 2018-02-15 | — | — | US | disclosed |