Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9655455 | 1.00 | EPHX1 (0.41) | EPHX1ALDH1A1HTTCYP1A1TSHR | |
| SCHEMBL7911594 | 0.89 | TDP1 (0.50) | ALDH1A1CYP1A1TSHRCYP1B1TDP1 | |
| SCHEMBL7898983 | 0.80 | TDP1 (0.54) | ALDH1A1HTTCYP1A1TSHRCYP1B1 | |
| SCHEMBL7343923 | 0.78 | SCN5A (0.40) | ALDH1A1HTTTDP1GAAMEN1 | |
| SCHEMBL1887617 | 0.78 | SCN5A (0.40) | ALDH1A1HTTTDP1GAAMEN1 | |
| SCHEMBL3501691 | 0.77 | TSHR (0.50) | ALDH1A1HTTCYP1A1TSHRCYP1B1 | |
| SCHEMBL9656174 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1TDP1GAAMEN1NPC1 | |
| Diphenylamine SCHEMBL28868778 | 0.72 | HSD17B10 (0.60) | EPHX1ALDH1A1HTTTSHRTDP1 | |
| Diphenylamine SCHEMBL27507095 | 0.72 | HSD17B10 (0.60) | EPHX1ALDH1A1HTTTSHRTDP1 | |
| SCHEMBL10431202 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HTTCYP1A1TSHRCYP1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5097036-A | Mitomycin analogs; antibiotics antitumor agents | BRISTOL-MYERS COMPANY (US) | 1992-03-17 | — | — | US | disclosed |
| US-4927943-A | ANTITUMOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1990-05-22 | — | — | US | disclosed |
| US-4814445-A | ETHERIFICATION, ANTIBIOTICS | BRISTOL-MYERS COMPANY (US) | 1989-03-21 | — | — | US | disclosed |