Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | GRN | P28799 | 1/20 | 0.46 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9023104 | 0.90 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL27680360 | 0.88 | CA12 (0.49) | ALDH1A1CNR2 | |
| SCHEMBL27680364 | 0.87 | HDAC3 (0.51) | NPC1RAB9AKMT2AMEN1RECQL | |
| SCHEMBL20916882 | 0.87 | NPC1 (0.51) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL28677395 | 0.87 | FLT1 (0.42) | NPC1RAB9AGRNSORT1SMN1; SMN2 | |
| SCHEMBL9022311 | 0.87 | TDP1 (0.50) | NPC1RAB9AMAPTSMN1; SMN2TDP1 | |
| SCHEMBL25394643 | 0.83 | TSHR (0.49) | CNR2 | |
| SCHEMBL1607395 | 0.81 | CNR2 (0.57) | RAB9AALDH1A1LMNAMAPTADRA1D | |
| SCHEMBL7195538 | 0.81 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2L3MBTL1CNR2 | |
| SCHEMBL1664496 | 0.81 | LMNA (0.44) | KMT2APOLBMEN1ALDH1A1LMNA |
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-0381141-B1 | Novel aryl- or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds useful in treating interleukin-1 mediated conditions | MERRELL DOW PHARMA (US) | 1996-03-20 | — | — | EP | disclosed |
| US-4112112-A | Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect | MERCK & CO., INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4075225-A | Pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1978-02-21 | — | — | US | disclosed |