Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.63 |
| ▸ | SLC2A1 | P11166 | 4/20 | 0.52 |
| ▸ | DPP4 | P27487 | 2/20 | 0.48 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.48 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2160819 | 0.84 | NPC1 (0.56) | DPP4DPP7TSHRMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL2267322 | 0.82 | ALDH1A1 (0.58) | CYP3A4TSHRMEN1KMT2AUSP2 | |
| SCHEMBL30575196 | 0.82 | CHKA (0.95) | CHKACYP3A4TSHRCYP2C9CYP2D6 | |
| SCHEMBL10648775 | 0.82 | CHKA (0.95) | CHKACYP3A4TSHRCYP2C9CYP2D6 | |
| SCHEMBL2205366 | 0.82 | CHKA (0.95) | CHKACYP3A4TSHRCYP2C9CYP2D6 | |
| SCHEMBL48987 | 0.82 | CHKA (0.95) | CHKACYP3A4TSHRCYP2C9CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL1456945 | 0.81 | DPP4 (0.59) | CHKASLC2A1DPP4DPP8DPP7 | |
| Trifluoroacetic Acid SCHEMBL1648792 | 0.81 | ITGB3 (0.56) | SLC2A1DPP4DPP8DPP7DPP9 | |
| Trifluoroacetic Acid SCHEMBL28476450 | 0.81 | CA12 (0.58) | SLC2A1DPP4DPP7TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL27847995 | 0.80 | CHKA (0.91) | CHKACYP3A4TSHRCYP2C9CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1289954-A1 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001096303-A1 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |