Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.48 |
| ▸ | TUBB | P07437 | 1/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4227745 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL3378072 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTTSHRLMNASMN1; SMN2 | |
| SCHEMBL1888218 | 0.80 | HCAR3 (0.54) | ALDH1A1KMT2AMEN1MAPTHTT | |
| SCHEMBL12643251 | 0.80 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL209875 | 0.79 | TSHR (0.51) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL4206711 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL30675591 | 0.78 | ALDH1A1 (0.70) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| Nitric Acid SCHEMBL20984347 | 0.78 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL9644642 | 0.78 | ALDH1A1 (0.70) | ALDH1A1KMT2AMEN1MAPTPOLB | |
| SCHEMBL14383794 | 0.78 | ALDH1A1 (0.73) | ALDH1A1KMT2AMEN1MAPTPOLB |
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-0641764-B1 | Process for the preparation of hydroxyalkylaminonitrobenzene derivatives | CLARIANT GMBH (DE) | 1998-05-20 | — | — | EP | disclosed |
| US-5508467-A | REACTING AN AMINE SUBSTITUTED BENZONITRILE WITH AN ACYLCHLORIDE IN APROTIC SOLVENT; REARRANGEMENT IN PRESENCE OF ABASE | CASSELLA AKTIENGESELLSCHAFT (DE) | 1996-04-16 | — | — | US | disclosed |
| EP-0641764-A2 | Process for the preparation of hydroxyalkylaminonitrobenzene derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-03-08 | — | — | EP | disclosed |