Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9873251 | 0.97 | TSHR (0.65) | TSHRCYP1A2CYP2C9CYP2C19PTK2 | |
| SCHEMBL7519328 | 0.82 | TSHR (1.00) | TSHRCYP1A2CYP2C9CYP2C19KIF11 | |
| SCHEMBL17171671 | 0.77 | TSHR (0.77) | TSHRCYP1A2CYP2C9CYP2C19KIF11 | |
| SCHEMBL10845271 | 0.76 | CYP1A2 (1.00) | TSHRCYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL1272838 | 0.75 | MAPT (0.60) | TSHRCYP1A2CYP2C9CYP2C19KIF11 | |
| SCHEMBL21133255 | 0.74 | TSHR (0.72) | TSHRCYP1A2CYP2C9CYP2C19KIF11 | |
| Hydrochloric Acid SCHEMBL11427572 | 0.74 | MAPT (0.63) | TSHRCYP1A2CYP2C9CYP2C19KIF11 | |
| SCHEMBL7270519 | 0.72 | TSHR (0.68) | TSHRCYP1A2CYP2C9CYP2C19KIF11 | |
| SCHEMBL939408 | 0.72 | GPR3 (0.38) | TSHRCYP1A2CYP2C9CYP2C19PTK2 | |
| SCHEMBL4137251 | 0.72 | TSHR (0.68) | TSHRCYP1A2CYP2C9CYP2C19KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0484881-B1 | Heteroaroyl derivatives of monocyclic beta-lactam antibiotics | SQUIBB & SONS INC (US) | 1999-04-07 | — | — | EP | disclosed |
| US-5705645-A | Hereroaryl derivatives of monocyclic beta-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5420277-A | BACTERICIDE INTERMEDIATES | E. R. SQUIBB & SONS, INC. (US) | 1995-05-30 | — | — | US | disclosed |
| US-5318963-A | Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1994-06-07 | — | — | US | disclosed |
| US-5290929-A | Heteroaryl derivatives of monocyclic beta-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1994-03-01 | — | — | US | disclosed |
| EP-0484881-A2 | Heteroaroyl derivatives of monocyclic beta-lactam antibiotics | E.R. SQUIBB & SONS, INC. (US) | 1992-05-13 | — | — | EP | disclosed |
| EP-0420069-A2 | Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics | E.R. SQUIBB & SONS, INC. (US) | 1991-04-03 | — | — | EP | disclosed |