Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10341585 | 0.97 | CES2 (0.60) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL8962468 | 0.86 | CES2 (0.75) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL11295596 | 0.84 | TP53 (0.71) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL10903202 | 0.84 | ALDH1A1 (0.56) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL181572 | 0.84 | CES2 (0.78) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL8962602 | 0.83 | SMN1; SMN2 (0.63) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL333455 | 0.82 | TP53 (0.73) | CES2CES1TP53ALDH1A1TSHR | |
| Benzophenone SCHEMBL27809239 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TSHRPOLBRAB9ANPC1 | |
| SCHEMBL10691910 | 0.82 | CES2 (0.60) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL6632890 | 0.82 | TP53 (0.68) | CES2CES1TP53ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0474501-B1 | Aromatic diamine compound, preparation process of same and polyimide prepared from same | MITSUI TOATSU CHEMICALS (JP) | 1996-02-14 | — | — | EP | disclosed |
| US-5322962-A | Produce polyimides with high heat and chemical resistance, processability | MITSUI TOATSU CHEMICALS, INC. (JP) | 1994-06-21 | — | — | US | disclosed |
| US-5231160-A | AROMATIC DIAMINE COMPOUND, PREPARATION PROCESS OF SAME AND POLYIMIDE PREPARED FROM SAME | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-07-27 | — | — | US | disclosed |
| EP-0474501-A1 | Aromatic diamine compound, preparation process of same and polyimide prepared from same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-03-11 | — | — | EP | disclosed |