Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GABRE | P78334 | 2/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6734526 | 0.87 | ELANE (0.44) | KMT2ATSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL27479845 | 0.84 | LMNA (0.51) | KMT2ATSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL27559124 | 0.83 | KMT2A (0.45) | KMT2ATSHRNPC1RAB9AELANE | |
| SCHEMBL5673336 | 0.81 | ELANE (0.53) | KMT2ATSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL5672094 | 0.81 | ELANE (0.53) | KMT2ATSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL6740429 | 0.77 | PTGES (0.54) | KMT2APTGES | |
| SCHEMBL6972482 | 0.74 | OPRK1 (0.44) | KMT2AOPRK1MCHR1 | |
| SCHEMBL29349018 | 0.74 | ALDH1A1 (0.44) | ALDH1A1OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL6738211 | 0.74 | GABRP (0.42) | KMT2ANPC1RAB9AALDH1A1ELANE | |
| SCHEMBL3452265 | 0.72 | ALDH1A1 (0.43) | ALDH1A1OPRM1OPRD1OPRK1OGFRL1 |
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 6 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 |
| CN-1315951-A | FKBP inhibitors | PFIZER LTD (US) | 2001-10-03 | — | — | CN | disclosed |
| CN-1310718-A | Heterocyclic compounds useful as rotamase inhibitors | PFIZER LTD (US) | 2001-08-29 | — | — | CN | disclosed |
| US-6166011-A | FKBP inhibitors | PFIZER INC (US) | 2000-12-26 | — | — | US | disclosed |