Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TMPRSS2 | O15393 | 3/20 | 0.36 |
| ▸ | NAMPT | P43490 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29803608 | 0.94 | MMP12 (0.36) | MMP12ALDH1A1SMN1; SMN2NPC1ALOX15 | |
| SCHEMBL24671165 | 0.91 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL24669917 | 0.90 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| Trifluoroacetic Acid SCHEMBL29803482 | 0.86 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL24671549 | 0.85 | TP53 (0.40) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL24669387 | 0.85 | TMPRSS2 (0.45) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL24891885 | 0.85 | TMPRSS2 (0.45) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| Trifluoroacetic Acid SCHEMBL29803766 | 0.83 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL24891978 | 0.83 | TMPRSS2 (0.42) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A | |
| SCHEMBL30181076 | 0.83 | TMPRSS2 (0.42) | ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A |
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 |