Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11564309 | 0.82 | NPC1 (0.62) | NPC1RAB9APOLBGAAMGLL | |
| SCHEMBL13116565 | 0.81 | MAPK8 (0.70) | NPC1RAB9APOLBSMN1; SMN2MAPK8 | |
| SCHEMBL11790861 | 0.80 | ENPP2 (0.53) | NPC1RAB9APOLBGAAMGLL | |
| SCHEMBL3928121 | 0.77 | NPC1 (0.68) | NPC1RAB9APOLBMGLLSMN1; SMN2 | |
| Potassium Ion SCHEMBL11794781 | 0.77 | MGLL (0.47) | NPC1RAB9APOLBGAAMGLL | |
| SCHEMBL11689273 | 0.76 | TDP1 (0.53) | NPC1RAB9ASMN1; SMN2LMNAMAPK8 | |
| SCHEMBL7351218 | 0.76 | POLB (0.57) | NPC1RAB9APOLBGAAMGLL | |
| SCHEMBL747058 | 0.75 | KDM4E (0.60) | NPC1RAB9APOLBSMN1; SMN2LMNA | |
| SCHEMBL4507572 | 0.75 | CASP3 (0.60) | NPC1RAB9APOLBMGLLSMN1; SMN2 | |
| SCHEMBL5764892 | 0.75 | POLB (0.60) | NPC1RAB9APOLBMGLLSMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4165315-A | CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT | ELI LILLY AND COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4165316-A | Process for preparing sulfinyl chlorides from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4081440-A | Sulfinyl halides and their preparation from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1978-03-28 | — | — | US | disclosed |
| US-4075203-A | Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |
| US-4008231-A | Preparation of 3-methoxymethylcephalosporins | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |