Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL198143 | 0.80 | NOTUM (0.45) | KMT2AMEN1ALDH1A1MAPTNOTUM | |
| SCHEMBL16975525 | 0.79 | KIF11 (0.37) | KMT2AALDH1A1NOTUMRAB9ANPC1 | |
| SCHEMBL27262975 | 0.74 | CYP11B1 (0.63) | TPMTHCAR1KMT2AMEN1MAPT | |
| SCHEMBL4876723 | 0.72 | NOTUM (0.38) | KMT2AMEN1ALDH1A1NOTUMRXRA | |
| Phenylboronic Acid SCHEMBL988758 | 0.72 | CA4 (0.44) | ALDH1A1NOTUM | |
| SCHEMBL27266066 | 0.70 | TPMT (0.37) | TPMTHCAR1KDM4EPOLB | |
| SCHEMBL31401248 | 0.70 | NOTUM (0.69) | TPMTHCAR1KMT2AALDH1A1MAPT | |
| Benzene SCHEMBL27458637 | 0.69 | TPMT (0.84) | TPMTNR4A1HCAR1KDM4EALDH1A1 | |
| Naphthalene SCHEMBL27658466 | 0.68 | TPMT (0.67) | TPMTNR4A1HCAR1KMT2AMEN1 | |
| SCHEMBL40661 | 0.67 | TPMT (0.89) | TPMTNR4A1HCAR1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106132406-A | β substituted γ aminoacid and analog as chemotherapeutics | 夸德里加生物科学公司 | 2016-11-16 | — | — | CN | disclosed |