Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL19786023 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TP53SMN1; SMN2CYP3A4ALOX15 | |
| SCHEMBL19785866 | 0.83 | MTNR1A (0.40) | ALDH1A1PTGS2MAOAMAOBMTNR1A | |
| SCHEMBL19786117 | 0.83 | MTNR1A (0.40) | ALDH1A1PTGS2MAOAMAOBMTNR1A | |
| SCHEMBL19786005 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TP53SMN1; SMN2CYP3A4NPC1 | |
| SCHEMBL19785903 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TP53SMN1; SMN2CYP3A4NPC1 | |
| SCHEMBL3890971 | 0.82 | TP53 (0.52) | ALDH1A1TP53SMN1; SMN2CYP3A4ALOX15 | |
| SCHEMBL21189915 | 0.80 | PTGS2 (0.42) | ALDH1A1CYP3A4ALOX15NPC1RAB9A | |
| SCHEMBL19785630 | 0.80 | PTGS2 (0.42) | ALDH1A1CYP3A4ALOX15NPC1RAB9A | |
| SCHEMBL19785644 | 0.79 | APP (0.44) | ALDH1A1TP53TSHRNPC1RAB9A | |
| SCHEMBL19786132 | 0.79 | APP (0.44) | ALDH1A1TP53TSHRNPC1RAB9A |
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-2019143143-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS | 숙명여자대학교 산학협력단 | 2019-07-25 | — | — | WO | disclosed |
| WO-2018012947-A1 | NOVEL ORGANIC SULFUR COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AN INFLAMMATORY DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT | 숙명여자대학교 산학협력단 | 2018-01-18 | — | — | WO | disclosed |