Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 4/20 | 0.55 |
| ▸ | ADH1A | P07327 | 4/20 | 0.55 |
| ▸ | ADH7 | P40394 | 4/20 | 0.55 |
| ▸ | ADH1C | P00326 | 3/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ADH4 | P08319 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL11429781 | 0.95 | EPHX1 (0.56) | ADH1BADH1AADH7ADH1CEPHX1 | |
| Benzonitrile SCHEMBL8746681 | 0.84 | TSHR (0.54) | TSHRMGLLABCB1ABCG2SIGMAR1 | |
| Benzonitrile SCHEMBL8746686 | 0.81 | SIGMAR1 (0.56) | TSHRMGLLSIGMAR1NAAAHSD17B10 | |
| Benzonitrile SCHEMBL8773388 | 0.81 | SIGMAR1 (0.56) | TSHRMGLLSIGMAR1NAAAHSD17B10 | |
| Benzonitrile SCHEMBL27895198 | 0.78 | TSHR (0.67) | TSHRMGLLABCB1ABCG2HSD17B10 | |
| Benzene SCHEMBL17537571 | 0.76 | EPHX1 (0.81) | ADH1BADH1AADH7ADH1CEPHX1 | |
| Benzonitrile SCHEMBL28216555 | 0.75 | TSHR (0.61) | TSHRHDAC8 | |
| Acetophenone SCHEMBL11791913 | 0.74 | ADH1B (0.55) | ADH1BADH1AADH7ADH1CEPHX1 | |
| SCHEMBL26602 | 0.74 | — | — | |
| SCHEMBL12500340 | 0.73 | TSHR (0.46) | TSHRSIGMAR1HSD17B10 |
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-3962209-A | PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | disclosed |