Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PPARD | Q03181 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL27494737 | 0.84 | TSHR (0.51) | NPC1RAB9ASMN1; SMN2CNR2MAPT | |
| SCHEMBL6967758 | 0.83 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2MAPTCYP2C9 | |
| SCHEMBL1199326 | 0.79 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2MAPTCYP2C9 | |
| SCHEMBL11985482 | 0.79 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2MAPTCYP2C9 | |
| SCHEMBL2565667 | 0.78 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CNR2MAPT | |
| SCHEMBL2563234 | 0.78 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CNR2MAPT | |
| SCHEMBL6968220 | 0.78 | DRD2 (0.47) | — | |
| SCHEMBL6976138 | 0.78 | DRD2 (0.47) | — | |
| SCHEMBL9033129 | 0.76 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2CNR2MAPT | |
| SCHEMBL9033137 | 0.76 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2CNR2MAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1611499-A | Heterocyclic compounds as inhibitors of rotamase enzymes | PFIZER (US) | 2005-05-04 | — | — | CN | disclosed |
| CN-1174978-C | Heterocyclic compounds useful as rotamase inhibitors | — | 2004-11-10 | — | — | CN | disclosed |
| CN-1511837-A | Intermediate for heterocyclic compound in preparing rotamase inhibitor | — | 2004-07-14 | — | — | CN | disclosed |
| US-6562964-B1 | Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders | PFIZER INC | 2003-05-13 | — | — | US | disclosed |
| EP-1100797-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LTD (GB) | 2003-02-26 | — | — | EP | disclosed |
| US-6372736-B1 | ENZYME INHIBITORS | PFIZER INC | 2002-04-16 | — | — | US | disclosed |
| CN-1310718-A | Heterocyclic compounds useful as rotamase inhibitors | PFIZER LTD (US) | 2001-08-29 | — | — | CN | disclosed |
| EP-1100797-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | Pfizer Limited (GB) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000005232-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LIMITED (GB) | 2000-02-03 | — | — | WO | disclosed |