Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.40 |
| ▸ | KLK1 | P06870 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL21394393 | 0.90 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL21395073 | 0.87 | ALDH1A1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL21394718 | 0.87 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL21394675 | 0.85 | CYP3A4 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL21394696 | 0.84 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL21394999 | 0.84 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL21394624 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL29358776 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL21395131 | 0.83 | CYP3A4 (0.43) | SIRT2 | |
| SCHEMBL21394763 | 0.81 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM |
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-2020198026-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-10-01 | — | — | WO | disclosed |
| WO-2019183587-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |