Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.64 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL29440246 | 0.99 | CYP1A1 (0.65) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| Bromide SCHEMBL22749448 | 0.99 | CYP1A1 (0.65) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| Bromide SCHEMBL22749447 | 0.98 | MEN1 (0.61) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| Bromide SCHEMBL31502672 | 0.97 | CYP1A1 (0.61) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| SCHEMBL13650897 | 0.86 | MAPT (0.64) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| SCHEMBL22761718 | 0.86 | ALDH1A1 (0.64) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| SCHEMBL4941971 | 0.85 | ALDH1A1 (0.77) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| Bromide SCHEMBL4796807 | 0.85 | CYP1A1 (0.75) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| Bromide SCHEMBL22749445 | 0.85 | CYP1A1 (0.65) | MEN1KMT2ACYP1A1CYP1B1MAPT | |
| Bromide SCHEMBL22749637 | 0.85 | CYP1A1 (0.65) | MEN1KMT2ACYP1A1CYP1B1MAPT |
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-2020247336-A1 | PIFITHRIN ANALOGUES AND METHODS OF TREATING RETT SYNDROME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-12-10 | — | — | WO | disclosed |