Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.38 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.33 |
| ▸ | GLRB | P48167 | 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 | |
|---|---|---|---|---|
| SCHEMBL31589510 | 0.90 | POLB (0.41) | POLBALDH1A1SMN1; SMN2CA2TYR | |
| SCHEMBL7795745 | 0.87 | POLB (0.50) | POLBALDH1A1SMN1; SMN2CA2TYR | |
| SCHEMBL10620353 | 0.80 | POLB (0.39) | POLBALDH1A1TP53TSHRCYP3A4 | |
| SCHEMBL9799571 | 0.78 | POLB (0.39) | POLBALDH1A1SMN1; SMN2CA2TYR | |
| SCHEMBL1930777 | 0.78 | ALDH1A1 (0.56) | POLBALDH1A1SMN1; SMN2CA2TYR | |
| SCHEMBL28386489 | 0.77 | POLB (0.34) | POLBMAPT | |
| Water SCHEMBL28586819 | 0.76 | ALDH1A1 (0.54) | POLBALDH1A1SMN1; SMN2CA2TYR | |
| SCHEMBL2154134 | 0.74 | POLB (0.40) | POLBALDH1A1SMN1; SMN2CA2TYR | |
| SCHEMBL16022232 | 0.74 | ALDH1A1 (0.52) | POLBALDH1A1SMN1; SMN2CA2TYR | |
| SCHEMBL139484 | 0.72 | POLB (0.56) | POLBALDH1A1SMN1; SMN2CA2TYR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0202557-B1 | PROCESS FOR PRODUCING MONOTERTIARY BUTYL TOLUENEDIAMINE | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-09-11 | — | — | EP | disclosed |
| US-4967001-A | Adding water to catalyst | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-10-30 | — | — | US | disclosed |
| EP-0177916-B1 | MONO-TERTIARY-ALKYLATED TOLUENEDIAMINE AND DERIVATIVES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-04-11 | — | — | EP | disclosed |
| US-4845291-A | ANTIOXIDATNS, CHAIN EXTENDERS FOR POLYURETHANES AND/OR POLYUREAS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-07-04 | — | — | US | disclosed |
| US-4816543-A | REACTIN INJECTION MOLDING MATERIALS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-03-28 | — | — | US | disclosed |
| US-4745223-A | CHAIN EXTENDERS FOR POLYUREAS AND POLYURETHANES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-05-17 | — | — | US | disclosed |
| US-4714778-A | Alkenylated toluenediamines for use in preparing polyurethane/urea systems | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-12-22 | — | — | US | disclosed |
| EP-0235825-A2 | Alkenylated toluenediamines for use in preparing polyurethane/urea systems | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-09-09 | — | — | EP | disclosed |
| EP-0125591-B1 | TRIALKYL-SUBSTITUTED AROMATIC DIISOCYANATES | BASF Aktiengesellschaft (DE) | 1987-05-06 | — | — | EP | disclosed |
| EP-0202557-A2 | Process for producing monotertiary butyl toluenediamine | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1986-11-26 | — | — | EP | disclosed |
| EP-0177916-A1 | Mono-tertiary-alkylated toluenediamine and derivatives | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1986-04-16 | — | — | EP | disclosed |
| EP-0125591-A1 | Trialkyl-substituted aromatic diisocyanates | BASF Aktiengesellschaft (DE) | 1984-11-21 | — | — | EP | disclosed |