Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30444177 | 0.86 | KDM1A (0.54) | SMYD3EPHX1KDM1AMAOAMAOB | |
| SCHEMBL791813 | 0.82 | THRB (0.51) | SMYD3KDM1A | |
| SCHEMBL18173134 | 0.80 | LOXL2 (0.54) | ALDH1A1SMYD3POLBKDM1A | |
| SCHEMBL9057020 | 0.80 | POLB (0.54) | ALDH1A1LMNAEPHX1NPC1POLB | |
| SCHEMBL13730162 | 0.79 | SMYD3 (0.58) | ALDH1A1SMYD3KDM1A | |
| SCHEMBL21088517 | 0.79 | PPM1D (0.57) | ALDH1A1EPHX1POLBKDM1A | |
| SCHEMBL10186626 | 0.79 | ALDH1A1 (0.49) | ALDH1A1LMNANPC1POLBMAOA | |
| SCHEMBL10131961 | 0.78 | NOS1 (0.51) | ALDH1A1LMNANPC1TDP1MAOB | |
| SCHEMBL662970 | 0.78 | ALDH1A1 (0.46) | ALDH1A1NPC1POLBKDM1AKMT2A | |
| SCHEMBL8646446 | 0.77 | HDAC1 (0.57) | ALDH1A1POLBMAOBKMT2ACYP19A1 |
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-1112998-B1 | AMINE DERIVATIVES | POLA CHEM IND INC (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-6586633-B1 | Antifungal agents | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1112998-A1 | AMINE DERIVATIVES | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-07-04 | — | — | EP | disclosed |