Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HRAS | P01112 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9100722 | 0.77 | TSHR (0.46) | TSHRNPC1RAB9AIDO1LMNA | |
| SCHEMBL4576696 | 0.77 | TSHR (0.46) | TSHRNPC1RAB9AIDO1LMNA | |
| SCHEMBL689184 | 0.77 | NPC1 (0.48) | TSHRNPC1RAB9AIDO1AGXT | |
| Bromide SCHEMBL38656295 | 0.75 | NPC1 (0.47) | TSHRNPC1RAB9AIDO1AGXT | |
| SCHEMBL21776500 | 0.75 | NPC1 (0.47) | TSHRNPC1RAB9AIDO1AGXT | |
| Hydrochloric Acid SCHEMBL6944557 | 0.75 | NPC1 (0.47) | TSHRNPC1RAB9AIDO1AGXT | |
| Ammonia Solution, Strong SCHEMBL28447660 | 0.75 | NPC1 (0.47) | TSHRNPC1RAB9AIDO1AGXT | |
| SCHEMBL18359404 | 0.73 | TSHR (0.43) | TSHRNPC1RAB9AIDO1LMNA | |
| SCHEMBL538293 | 0.72 | TSHR (0.57) | TSHRNPC1RAB9AIDO1LMNA | |
| SCHEMBL28779612 | 0.72 | NPC1 (0.53) | NPC1RAB9ALMNAGSK3BBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5506355-A | REACTING DIAMINE HAVING DIOL PROTECTED WITH CYCLIC ACETAL GROUP IN SOLVENT WITH HINDERED AMINE BASE AND SULFONYL GROUP PRECURSOR, ALKYLATING IN PRESENCE OF BASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-09 | — | — | US | disclosed |