Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 16/20 | 0.41 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29803429 | 0.94 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 | |
| SCHEMBL24671302 | 0.89 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 | |
| SCHEMBL29803244 | 0.88 | PTPN1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 | |
| Trifluoroacetic Acid SCHEMBL29803252 | 0.84 | ALDH1A1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 | |
| SCHEMBL29803634 | 0.83 | NAMPT (0.59) | NAMPT | |
| SCHEMBL24671222 | 0.83 | PTPN1 (0.39) | NAMPTTMPRSS2 | |
| Trifluoroacetic Acid SCHEMBL29803588 | 0.83 | PTPN1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 | |
| SCHEMBL29802906 | 0.82 | TMPRSS2 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 | |
| SCHEMBL24667821 | 0.80 | TMPRSS2 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 | |
| SCHEMBL24669917 | 0.80 | ALDH1A1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15 |
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-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | claimed |
| WO-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |