Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.76 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17223 | 0.87 | TDP1 (1.00) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| SCHEMBL18636497 | 0.87 | TDP1 (1.00) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| Benzene SCHEMBL4292987 | 0.87 | TDP1 (1.00) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| SCHEMBL10704793 | 0.87 | TDP1 (1.00) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| SCHEMBL30036615 | 0.87 | TDP1 (1.00) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| SCHEMBL10999079 | 0.85 | TDP1 (0.84) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| SCHEMBL3810753 | 0.85 | TDP1 (0.94) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| Bromide SCHEMBL28859264 | 0.85 | TDP1 (0.94) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 | |
| Fluorobenzene SCHEMBL379263 | 0.85 | HSD17B10 (0.50) | ALDH1A1HSD17B10TDP1APOBEC3GPKM | |
| Methane SCHEMBL29110024 | 0.85 | TDP1 (0.94) | ALDH1A1HSD17B10TDP1APOBEC3GHTR6 |
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-6506761-B1 | Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| US-6506760-B1 | Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| WO-2001079193-A2 | SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |