Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.43 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.43 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 2/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17199072 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL19623140 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL1858387 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL13696015 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL31415237 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL11343653 | 0.81 | CYP3A4 (0.56) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL10850493 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL10850498 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL28069165 | 0.80 | NFE2L2 (0.61) | ALDH1A1TSHRTDP1CYP3A4LMNA | |
| SCHEMBL7134052 | 0.80 | PTGES (0.59) | ALDH1A1TSHRTDP1CYP3A4LMNA |
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-3216787-B1 | INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2020-02-19 | — | — | EP | disclosed |
| WO-2019200224-A1 | SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES | THE BROAD INSTITUTE, INC. (US) | 2019-10-17 | — | — | WO | disclosed |