Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.40 |
| ▸ | NPC1 | O15118 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL24369413 | 0.88 | SMYD3 (0.39) | HDAC3HDAC1HDAC2 | |
| SCHEMBL24369392 | 0.88 | SMYD3 (0.44) | — | |
| SCHEMBL24370239 | 0.86 | HPGDS (0.42) | RAB9ANPC1 | |
| SCHEMBL24369605 | 0.84 | RAB9A (0.46) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29488837 | 0.82 | CTPS1 (0.44) | RAB9ANPC1MEN1KMT2A | |
| SCHEMBL24369378 | 0.82 | CTPS1 (0.44) | RAB9ANPC1MEN1KMT2A | |
| SCHEMBL24369608 | 0.78 | CHRNA7 (0.41) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL24369397 | 0.71 | CTPS1 (0.48) | — | |
| SCHEMBL24369406 | 0.71 | CTPS1 (0.48) | — | |
| SCHEMBL29488995 | 0.71 | CTPS1 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022087634-A1 | CTPS1 INHIBITORS AND USES THEREOF | NIMBUS CLOTHO, INC. (US) | 2022-04-28 | — | — | WO | disclosed |