Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 3/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.43 |
| ▸ | KDR | P35968 | 3/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7832524 | 1.00 | ALDH1A1 (0.57) | ALDH1A1HTTKDM4EPOLBHPGD | |
| SCHEMBL939425 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HTTKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL9980798 | 0.77 | ALDH1A1 (0.71) | ALDH1A1HTTKDM4EPOLBHPGD | |
| SCHEMBL28478494 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KDM4EPOLBLTA4HCCR5 | |
| SCHEMBL15260064 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HTTKDM4ELTA4HCCR5 | |
| SCHEMBL28478497 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KDM4EPOLBLTA4HCCR5 | |
| SCHEMBL31002536 | 0.74 | ALDH1A1 (0.51) | ALDH1A1HTTKDM4EPOLBHPGD | |
| SCHEMBL31002307 | 0.74 | ALDH1A1 (0.51) | ALDH1A1HTTKDM4EPOLBHPGD | |
| SCHEMBL31002535 | 0.74 | ALDH1A1 (0.51) | ALDH1A1HTTKDM4EPOLBHPGD | |
| SCHEMBL15347018 | 0.73 | ALDH1A1 (0.66) | ALDH1A1HTTKDM4EPOLBHPGD |
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 7 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 |