Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10866707 | 0.83 | CYP3A4 (0.40) | ALDH1A1TDP1LMNACYP3A4ADRA2A | |
| Hydrochloric Acid SCHEMBL31534634 | 0.82 | CYP3A4 (0.39) | ALDH1A1TDP1LMNACYP3A4ADRA2A | |
| SCHEMBL23914136 | 0.79 | ALDH1A1 (0.37) | ALDH1A1TDP1POLBLMNATSHR | |
| SCHEMBL27334427 | 0.77 | LMNA (0.46) | LMNAKDM4E | |
| SCHEMBL23653794 | 0.77 | ACHE (0.48) | ALDH1A1LMNATSHRCYP3A4GAA | |
| SCHEMBL2090088 | 0.76 | FSCN1 (0.37) | ALDH1A1CYP3A4ADRA2AGAAKDM4E | |
| SCHEMBL9796433 | 0.76 | KDM4E (0.36) | ALDH1A1POLBLMNATSHRHTT | |
| SCHEMBL14098193 | 0.76 | ALDH1A1 (0.36) | ALDH1A1GAAKDM4E | |
| SCHEMBL3185975 | 0.75 | TDP1 (0.44) | ALDH1A1TDP1POLBLMNATSHR | |
| SCHEMBL21793456 | 0.75 | TDP1 (0.44) | ALDH1A1TDP1POLBLMNATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1955697-B1 | 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER | ASTELLAS PHARMA INC (JP) | 2012-05-02 | — | — | EP | disclosed |
| EP-0172789-A2 | Process for the sulfation of compounds containing a hydroxyethyl group | CIBA-GEIGY AG (CH) | 1986-02-26 | — | — | EP | disclosed |