Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HPD | P32754 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8799973 | 1.00 | CYP1A2 (0.39) | CYP1A2MAPTNPC1RAB9AGSTO1 | |
| SCHEMBL16701743 | 0.79 | TDP1 (0.44) | CYP1A2MAPTNPC1RAB9AGSTO1 | |
| SCHEMBL8618765 | 0.76 | SMN1; SMN2 (0.50) | MAPTNPC1RAB9AALDH1A1TSHR | |
| SCHEMBL8952221 | 0.76 | SMN1; SMN2 (0.50) | MAPTNPC1RAB9AALDH1A1TSHR | |
| SCHEMBL27688694 | 0.72 | CASP6 (0.58) | TSHRPDK1LMNAHCAR3 | |
| SCHEMBL25245525 | 0.70 | MAPK1 (0.49) | CYP1A2MAPTALDH1A1TSHRTDP1 | |
| SCHEMBL27722916 | 0.69 | TDP1 (0.50) | CYP1A2MAPTRAB9AALDH1A1TSHR | |
| SCHEMBL12090353 | 0.68 | TSHR (0.55) | CYP1A2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL27856589 | 0.68 | S100A4 (0.42) | CYP1A2RAB9AALDH1A1TSHRTDP1 | |
| SCHEMBL8799965 | 0.68 | ALDH1A1 (0.46) | CYP1A2MAPTNPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0532039-B1 | N1-trifluoroalkyl substituted 2-nitro-p-phenylenediamine dyes | BRISTOL MYERS SQUIBB CO (US) | 1997-12-03 | — | — | EP | disclosed |
| US-5260488-A | Hair dye | CLAIROL INC. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0532039-A1 | N1-trifluoroalkyl substituted 2-nitro-p-phenylenediamine dyes | Bristol-Myers Squibb Company (US) | 1993-03-17 | — | — | EP | disclosed |
| US-5186716-A | N1 trifluoroalkyl substituted 2-nitro-p-phenylenediamine dyes and hair dyeing compositions and methods thereof | CLAIROL INCORPORATED (US) | 1993-02-16 | — | — | US | disclosed |