Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 1/20 | 0.73 |
| ▸ | GAA | P10253 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.73 |
| ▸ | HTT | P42858 | 1/20 | 0.73 |
| ▸ | CES1 | P23141 | 2/20 | 0.70 |
| ▸ | CES2 | O00748 | 1/20 | 0.70 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | PAM | P19021 | 2/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | FNTA | P49354 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL27758886 | 1.00 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL9449909 | 1.00 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL1459 | 1.00 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL28242469 | 1.00 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL13618842 | 1.00 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL6930087 | 0.97 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL7214232 | 0.97 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL6547063 | 0.97 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL388148 | 0.97 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL11709776 | 0.97 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |