Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.57 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL506454 | 0.95 | NPC1 (0.61) | NPC1RAB9AKMT2ASMN1; SMN2PTPN1 | |
| SCHEMBL506927 | 0.94 | NPC1 (0.64) | NPC1RAB9AKMT2ASMN1; SMN2PTPN1 | |
| SCHEMBL506714 | 0.94 | NPC1 (0.64) | NPC1RAB9AKMT2ASMN1; SMN2PTPN1 | |
| SCHEMBL14115713 | 0.89 | PRSS1 (0.60) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL4332613 | 0.87 | PRSS1 (0.59) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL517452 | 0.87 | NPC1 (0.73) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL518043 | 0.85 | NPC1 (0.74) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL517178 | 0.85 | NPC1 (0.74) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL29927547 | 0.85 | NPC1 (0.74) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL517912 | 0.85 | NPC1 (0.74) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 |
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-2021216828-A1 | CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2021-10-28 | — | — | WO | disclosed |