Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.52 |
| ▸ | TUBB | P07437 | 2/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.52 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.52 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.52 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.52 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.52 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.52 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10375478 | 1.00 | HSP90AA1 (0.69) | HSP90AA1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL31436345 | 0.84 | HSP90AA1 (0.61) | HSP90AA1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL6292775 | 0.82 | HSP90AA1 (1.00) | HSP90AA1KDM4EMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL1042209 | 0.82 | HSP90AA1 (0.67) | HSP90AA1KDM4EMAPTALDH1A1NPSR1 | |
| SCHEMBL1042207 | 0.82 | HSP90AA1 (0.67) | HSP90AA1KDM4EMAPTALDH1A1NPSR1 | |
| SCHEMBL11714784 | 0.81 | KDM4E (0.62) | HSP90AA1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL10375707 | 0.81 | HSP90AA1 (0.69) | HSP90AA1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL10375706 | 0.81 | HSP90AA1 (0.69) | HSP90AA1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL11528927 | 0.78 | GPR52 (0.61) | KDM4EMAPTSMN1; SMN2ALDH1A1NFE2L2 | |
| SCHEMBL11528932 | 0.78 | GPR52 (0.61) | KDM4EMAPTSMN1; SMN2ALDH1A1NFE2L2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0187711-B1 | OCTAHYDROINDOLIZINE COMPOUNDS USEFUL AS ANALGESICS | McNeilab, Inc. (US) | 1990-08-29 | — | — | EP | disclosed |
| EP-0187711-A2 | Octahydroindolizine compounds useful as analgesics | McNeilab, Inc. (US) | 1986-07-16 | — | — | EP | disclosed |
| US-4582836-A | Octahydroindolizine compounds useful as analgesics | MCNEILAB, INC. (US) | 1986-04-15 | — | — | US | disclosed |