Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27698678 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL750380 | 0.90 | HRH3 (0.54) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL4499465 | 0.90 | HRH3 (0.54) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL4493181 | 0.90 | HRH3 (0.54) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL410054 | 0.83 | HRH3 (0.44) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL18132141 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL310852 | 0.80 | HRH3 (0.60) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL25501779 | 0.79 | HPGD (0.61) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL3316713 | 0.79 | ALDH1A1 (0.63) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL20585124 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MEN1MAPTKMT2AHPGD |
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-2321274-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010005783-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | WO | disclosed |
| CN-101094840-A | Quinazoline derivatives for inhibiting the growth of cancer cells and methods for preparing the same | HANMI PHARM IND CO LTD (KR) | 2007-12-26 | — | — | CN | disclosed |