Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | DHODH | Q02127 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30355135 | 0.87 | RAB9A (0.47) | RAB9ANPC1MEN1KMT2AATM | |
| Trifluoroacetic Acid SCHEMBL30355128 | 0.87 | RAB9A (0.47) | RAB9ANPC1MEN1KMT2AATM | |
| Trifluoroacetic Acid SCHEMBL30355134 | 0.84 | DAO (0.44) | RAB9ADHODHALDH1A1IDO1HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL30355103 | 0.77 | MAPK1 (0.51) | MEN1KMT2AALDH1A1HSD17B10KDM4E | |
| Trifluoroacetic Acid SCHEMBL5076872 | 0.75 | TAAR1 (0.70) | MTNR1AMTNR1B | |
| Trifluoroacetic Acid SCHEMBL30355104 | 0.73 | TAAR1 (0.40) | RAB9ADHODHHTR2AALDH1A1HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL30355116 | 0.72 | NEK1 (0.39) | MEN1KMT2ADHODHHTR2A | |
| Trifluoroacetic Acid SCHEMBL30355119 | 0.72 | NEK1 (0.39) | MEN1KMT2ADHODHHTR2A | |
| Trifluoroacetic Acid SCHEMBL30355112 | 0.72 | HTR6 (0.47) | HTR2AALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL30355121 | 0.72 | HTR6 (0.47) | HTR2AALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023060255-A1 | QUINOLONE ALKYL AMINES AS NOVEL SEROTONIN 2A RECEPTOR (5HT2AR) AGONISTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2023-04-13 | — | — | WO | disclosed |