Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 3/20 | 0.51 |
| ▸ | PARP15 | Q460N3 | 4/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.49 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208400 | 0.87 | ALDH1A1 (0.68) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL19827992 | 0.87 | ALDH1A1 (0.68) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL6915703 | 0.85 | SMN1; SMN2 (0.66) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL6915699 | 0.85 | SMN1; SMN2 (0.66) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL6915692 | 0.85 | SMN1; SMN2 (0.66) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL19827996 | 0.85 | ALDH1A1 (0.66) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL11198075 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL32684970 | 0.83 | SMN1; SMN2 (0.62) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL201939 | 0.82 | PARP10 (0.67) | PARP1PARP15PARP10PARP2TNKS | |
| SCHEMBL4656658 | 0.81 | PARP10 (0.66) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5215738-A | Used for destroying hypoxic tumor cells | SRI INTERNATIONAL (US) | 1993-06-01 | — | — | US | disclosed |
| US-5041653-A | Antitumor agents | SRI INTERNATIONAL (US) | 1991-08-20 | — | — | US | disclosed |
| US-5032617-A | Antitumor agents | SRI INTERNATIONAL (US) | 1991-07-16 | — | — | US | disclosed |
| US-4863903-A | RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1989-09-05 | — | — | US | disclosed |
| US-4719288-A | HYPOTENSIVE | CIBA-GEIGY CORPORATION (US) | 1988-01-12 | — | — | US | disclosed |
| WO-1986006628-A1 | BENZAMIDE AND NICOTINAMIDE RADIOSENSITIZERS | SRI INTERNATIONAL (US) | 1986-11-20 | — | — | WO | disclosed |
| US-4613676-A | PEPTIDES | CIBA-GEIGY CORPORATION (US) | 1986-09-23 | — | — | US | disclosed |