Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | C1S | P09871 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL28131089 | 0.97 | TPMT (0.57) | TPMTALDH1A1TSHRPRSS1PRSS2 | |
| Carbamic Acid SCHEMBL28127618 | 0.91 | ALDH1A1 (0.67) | TPMTALDH1A1TSHRPRSS1PRSS2 | |
| M-Xylene SCHEMBL27651227 | 0.83 | PARP1 (0.64) | ACHECYP1A2PARP1KMT2AMEN1 | |
| Acetic Acid SCHEMBL27834373 | 0.83 | TPMT (0.63) | TPMTALDH1A1TSHRPRSS1PRSS2 | |
| P-Xylene SCHEMBL11562997 | 0.80 | ALDH1A1 (0.60) | ALDH1A1ACHEKMT2AMEN1TDP1 | |
| Methyl Carbamate SCHEMBL27909426 | 0.79 | TPMT (0.46) | TPMTALDH1A1TSHRPRSS1PRSS2 | |
| SCHEMBL501850 | 0.79 | PARP1 (0.60) | TPMTALDH1A1TSHRPRSS1PRSS2 | |
| Acetone SCHEMBL9722029 | 0.79 | TPMT (0.58) | TPMTALDH1A1TSHRPRSS1PRSS2 | |
| Hydroxyamine SCHEMBL16975254 | 0.78 | ALDH1A1 (0.64) | TPMTALDH1A1TSHRPRSS1PRSS2 | |
| Carbamic Acid SCHEMBL11292721 | 0.77 | ACHE (0.68) | ALDH1A1ACHECYP1A2CYP3A4KMT2A |
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-106977429-A | Composition, method and system for synthesizing and using contrast agent | 蓝瑟斯医学影像公司 | 2017-07-25 | — | — | CN | disclosed |