Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SAE1 | Q9UBE0 | 3/20 | 0.33 |
| ▸ | UBA2 | Q9UBT2 | 3/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15782678 | 0.91 | ALDH1A1 (0.39) | ALDH1A1LMNAHPGDHTTSMN1; SMN2 | |
| SCHEMBL15382623 | 0.84 | CYP1B1 (0.33) | TSHRTDP1 | |
| SCHEMBL14479313 | 0.81 | PRSS1 (0.40) | ADRA2AADRA2BADRA2CTSHRMEN1 | |
| SCHEMBL20867958 | 0.81 | HRH3 (0.44) | — | |
| SCHEMBL20676111 | 0.77 | TSHR (0.43) | ALDH1A1HPGDADRA2AADRA2BADRA2C | |
| SCHEMBL10522288 | 0.72 | NPC1 (0.45) | ALDH1A1LMNAHPGDSMN1; SMN2TDP1 | |
| SCHEMBL18084271 | 0.72 | MAPT (0.42) | ALDH1A1LMNAHPGDHTTSMN1; SMN2 | |
| SCHEMBL4572714 | 0.70 | — | — | |
| SCHEMBL10383070 | 0.70 | TSHR (0.48) | ALDH1A1LMNAHPGDHTTSMN1; SMN2 | |
| SCHEMBL7513488 | 0.68 | ALDH1A1 (0.43) | ALDH1A1HTTSMN1; SMN2KDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9227917-B2 | Amine-containing lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-01-05 | — | — | US | disclosed |