Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1748040 | 0.70 | MAPT (0.78) | MAPTRAB9ANPC1LOXL2DRD3 | |
| SCHEMBL31276277 | 0.70 | MAPT (0.78) | MAPTRAB9ANPC1LOXL2DRD3 | |
| SCHEMBL2621291 | 0.70 | MAPT (0.70) | MAPTRAB9ANPC1LOXL2DRD3 | |
| SCHEMBL31276462 | 0.70 | MAPT (0.70) | MAPTRAB9ANPC1LOXL2DRD3 | |
| SCHEMBL155002 | 0.70 | MAPT (1.00) | MAPTRAB9ANPC1LOXL2DRD3 | |
| SCHEMBL4906117 | 0.70 | MAPT (0.60) | MAPTRAB9ANPC1LOXL2DRD3 | |
| SCHEMBL9681398 | 0.69 | MAPT (0.51) | MAPTRAB9ANPC1LOXL2CNR2 | |
| Bromide SCHEMBL9239377 | 0.69 | MAPT (0.68) | MAPTRAB9ANPC1LOXL2DRD3 | |
| SCHEMBL5573693 | 0.68 | MAPT (0.54) | MAPTRAB9ANPC1LOXL2TP53 | |
| SCHEMBL23479892 | 0.68 | NPC1 (0.47) | MAPTRAB9ANPC1LOXL2DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811423-A | Benzoxazinones as inhibitors of HIV reverse transcriptase | MERCK & CO., INC. (US) | 1998-09-22 | — | — | US | disclosed |
| US-5717097-A | N-(2(R)-HYDROXY-1(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-(HYDROXY) -5-SUBSTITUTED-N'-(T-BUTYLCARBAMOYL)PIPERAZINYL))PENTANEAMIDE COMPOUNDS | MERCK & CO., INC. (US) | 1998-02-10 | — | — | US | disclosed |
| US-5698741-A | HIV REVERSE TRANSCRIPTASE INHIBITOR | MERCK & CO. INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5512560-A | Conformationally restricted HIV-1 protease inhibitors | MERCK & CO., INC. (US) | 1996-04-30 | — | — | US | disclosed |