Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6228100 | 0.96 | ALDH1A1 (0.43) | ALDH1A1EPHX1KMT2ARXFP1EPHX2 | |
| SCHEMBL4879234 | 0.89 | EPHX2 (0.48) | KMT2AEPHX2HDAC1HDAC8HDAC6 | |
| SCHEMBL965747 | 0.84 | ALDH1A1 (0.56) | ALDH1A1EPHX1KMT2ARXFP1NPC1 | |
| SCHEMBL25547182 | 0.78 | ALDH1A1 (0.36) | ALDH1A1EPHX1 | |
| SCHEMBL16037882 | 0.78 | — | — | |
| SCHEMBL282760 | 0.78 | PKM (0.42) | ALDH1A1KMT2ATDP1SMN1; SMN2 | |
| SCHEMBL7735044 | 0.77 | EPHX1 (0.38) | ALDH1A1EPHX1KMT2ARXFP1EPHX2 | |
| SCHEMBL7457627 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4580832 | 0.76 | PKM (0.46) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL12104335 | 0.76 | ALDH1A1 (0.51) | ALDH1A1EPHX1KMT2ARXFP1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1574495-A1 | Adamantane derivatives | Daicel Chemical Industries, Ltd. (JP) | 2005-09-14 | — | — | EP | disclosed |
| EP-1574494-A1 | Adamantane derivative | Daicel Chemical Industries, Ltd. (JP) | 2005-09-14 | — | — | EP | disclosed |
| US-6468487-B1 | SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-22 | — | — | US | disclosed |
| EP-0897747-A1 | NITRATION OR CARBOXYLATION CATALYSTS | Daicel Chemical Industries, Ltd. (JP) | 1999-02-24 | — | — | EP | disclosed |