Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6933219 | 0.89 | MEN1 (0.57) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL6538869 | 0.88 | MEN1 (0.63) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL4508484 | 0.87 | MEN1 (0.57) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL6940418 | 0.85 | MEN1 (0.53) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL503402 | 0.84 | MEN1 (0.57) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL6380611 | 0.84 | MEN1 (0.57) | MEN1KMT2ACA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5672181 | 0.84 | CTSS (0.52) | MEN1KMT2ACA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5672178 | 0.84 | CTSS (0.52) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL4442846 | 0.83 | KMT2A (0.60) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL4710059 | 0.83 | CTSS (0.54) | MEN1KMT2ACA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3868753-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP | BRISTOL MYERS SQUIBB CO (US) | 2022-12-21 | — | — | EP | disclosed |
| WO-1998043962-A1 | HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-08 | — | — | WO | disclosed |