Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KIF11 | P52732 | 4/20 | 0.52 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL3134248 | 0.91 | ALDH1A1 (0.43) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL7938378 | 0.83 | PAX8 (0.41) | ALDH1A1TSHRKIF11TRPV6RAB9A | |
| SCHEMBL244792 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TSHRKIF11TRPV6OPRM1 | |
| SCHEMBL3203731 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TSHRKIF11TRPV6OPRM1 | |
| Hydrochloric Acid SCHEMBL10439842 | 0.81 | SLC6A4 (0.44) | ALDH1A1TSHRKIF11OPRM1OPRL1 | |
| SCHEMBL26437524 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRKIF11TRPV6CYP1A1 | |
| SCHEMBL7937298 | 0.81 | KIF11 (0.59) | ALDH1A1TSHRKIF11TRPV6CYP1A1 | |
| SCHEMBL12336893 | 0.81 | TDP1 (0.35) | ALDH1A1TSHR | |
| Bromide SCHEMBL3137320 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRKIF11TRPV6OPRM1 | |
| Hydrochloric Acid SCHEMBL31079531 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRKIF11TRPV6OPRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118373784-B | One-pot preparation method of 2-aryl benzoxazole and asymmetric sulfoxide | 江苏师范大学 | 2024-09-03 | — | — | CN | disclosed |
| CN-118373784-A | One-pot preparation method of 2-aryl benzoxazole and asymmetric sulfoxide | 江苏师范大学 | 2024-07-23 | — | — | CN | disclosed |
| EP-2187893-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009111676-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC (US) | 2009-09-11 | — | — | WO | disclosed |
| EP-2044091-A2 | COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE | Anacor Pharmaceuticals, Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| EP-1988779-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007146965-A2 | COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE | ANACOR PHARMACEUTICALS, INC. (US) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007095638-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2007-08-23 | — | — | WO | disclosed |