Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | MLYCD | O95822 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 3/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Methyl 3-Phenylpropanoate SCHEMBL168711 | 0.89 | TDP1 (0.68) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL213543 | 0.88 | KEAP1 (0.70) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL27315471 | 0.88 | TDP1 (0.66) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL27447160 | 0.88 | TDP1 (0.66) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL1893702 | 0.88 | TDP1 (0.66) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL6734679 | 0.86 | KEAP1 (0.68) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL27506579 | 0.86 | KEAP1 (0.68) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL27364391 | 0.86 | TDP1 (0.63) | TDP1CA12CA7CA9CA14 | |
| Methyl 3-Phenylpropanoate SCHEMBL17748824 | 0.86 | TDP1 (0.63) | TDP1CA12CA7CA9CA14 | |
| Trifluoroacetic Acid SCHEMBL30151162 | 0.86 | FFAR1 (0.56) | FFAR1MLYCDHDAC8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106470708-A | Antibody-drug-conjugates and their use for the treatment of cancer | 皮埃尔法布雷医药公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-105408318-A | Derivatives of dolastatin 10 and auristatin | PF MEDICAMENT | 2016-03-16 | — | — | CN | disclosed |
| CN-105377834-A | Negative-type photosensitive white composition for touch panel, touch panel, and production method for touch panel | PF MEDICAMENT | 2016-03-02 | — | — | CN | disclosed |
| CN-105143199-A | Derivatives of dolastatin 10 and auristatins | PF MEDICAMENT | 2015-12-09 | — | — | CN | disclosed |