Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | TAS1R3 | Q7RTX0 | 8/20 | 0.59 |
| ▸ | TAS1R1 | Q7RTX1 | 8/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9638583 | 0.98 | ALDH1A1 (0.62) | ALDH1A1HPGDTAS1R3TAS1R1KMT2A | |
| SCHEMBL8312471 | 0.86 | ALDH1A1 (0.64) | ALDH1A1HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL14880051 | 0.86 | HDAC8 (0.62) | ALDH1A1TAS1R3TAS1R1KMT2ANPC1 | |
| SCHEMBL6580514 | 0.85 | ALDH1A1 (0.63) | ALDH1A1HPGDTAS1R3TAS1R1KMT2A | |
| SCHEMBL4151619 | 0.84 | CYP1A2 (0.66) | ALDH1A1HPGDKMT2AMEN1SMN1; SMN2 | |
| Methyl 3-Chloro-4-Methoxybenzoate SCHEMBL31296522 | 0.82 | KMT2A (0.69) | ALDH1A1TAS1R3TAS1R1KMT2ANPC1 | |
| Methyl 3-Chloro-4-Methoxybenzoate SCHEMBL1637523 | 0.82 | KMT2A (0.69) | ALDH1A1TAS1R3TAS1R1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL9639558 | 0.82 | TAS1R3 (0.71) | ALDH1A1HPGDTAS1R3TAS1R1KMT2A | |
| SCHEMBL11575925 | 0.82 | CYP1A2 (0.68) | ALDH1A1HPGDTAS1R3TAS1R1KMT2A | |
| SCHEMBL24959708 | 0.81 | MAPT (0.55) | ALDH1A1HPGDTAS1R3TAS1R1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009153179-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |